DL-正亮氨酸 | 616-06-8
中文名称:
DL-正亮氨酸
英文名称:
H-DL-Nle-OH
CAS No.:
616-06-8
分子式:
C6 H1 3 NO2
分子量:
131.1729
简介
H-DL-Nle-OH 是一种亮氨酸衍生物。
名称和标识符
MDL
MFCD00064422
InChIKey
LRQKBLKVPFOOQJ-UHFFFAOYSA-N
Inchi
1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
SMILES
O([H])C(C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])N([H])[H])=O
BRN
1721748
别名信息
- 中文别名 -
DL-正亮氨酸
2-氨基己酸
己氨酸,正白氨酸
Α-胺己酸
己胺酸
正白胺酸
DL-Norleucine DL-正亮氨酸
DL-2-氨基己酸
DL-2-氨基正己酸
DL-己氨酸
DL-原亮氨酸
DL-正白氨酸
DL-正闪白氨基酸
- 英文别名 -
DL-Norleucine
DL-2-Aminohexanoic acid
DL-Norleucine DL-2-Amino-N-hexanoic acid
H-DL-Nle-OH
Norleucine
(+/-)-2-Aminohexanoic acid~H-DL-Nle-OH
2-Aminohexanoic acid
L-Norleucine
(±)-2-AMinocaproic aci
(DL)-2-amino-1-hexanoic acid
2-amino-hexanoic acid
2-Aminohexanoic acid,dl
DL-2-AMinocaproic acid
DL-α-AMino-n-caproic acid
Norleucine,DL
Norleucine,L
(±)-2-Aminocaproic acid
(+/-)-2-Aminocaproic acid
Norleucine, DL-
2-Aminohexanoic acid, dl-
(+/-)-Norleucine
DL-.alpha.-Aminocaproic acid
(+/-)-2-Aminohexanoic acid
Norleucine, L-
LRQKBLKVPFOOQJ-UHFFFAOYSA-N
NSC74430
NSC203799
Hexanoic acid, (S)-
(+-)-Norleucine
.alpha.-Aminocaproic acid
Norleucine, (+/-)-
DL-alpha-Aminocaproic acid
(.+-.)-Norleucine
DL-2-Aminocaproic a
DL-2-Aminohexanoic Acid
616-06-8
616-06-8
616-06-8
A821399
A821399
A821399
UNII-5C81BE5GKK
UNII-5C81BE5GKK
UNII-5C81BE5GKK
Hexanoic acid, amino-
Hexanoic acid, amino-
Hexanoic acid, amino-
2-Aminohexanoicacid
2-Aminohexanoicacid
2-Aminohexanoicacid
FT-0625493
FT-0625493
FT-0625493
AM82585
AM82585
AM82585
N0302
N0302
N0302
F2191-0205
F2191-0205
F2191-0205
NSC10378
NSC10378
NSC10378
FT-0627603
FT-0627603
FT-0627603
NS00015352
NS00015352
NS00015352
MFCD00064422
MFCD00064422
MFCD00064422
HY-W012709
HY-W012709
HY-W012709
FT-0624339
FT-0624339
5C81BE5GKK
FT-0624339
5C81BE5GKK
DTXSID40861874
5C81BE5GKK
DTXSID40861874
SY038236
DTXSID40861874
SY038236
(+/-)-2-Aminocaproic acid, 2-Aminohexanoic acid
SY038236
(+/-)-2-Aminocaproic acid, 2-Aminohexanoic acid
SCHEMBL8392
(+/-)-2-Aminocaproic acid, 2-Aminohexanoic acid
SCHEMBL8392
SY062052
SCHEMBL8392
SY062052
EINECS 210-462-7
EINECS 210-462-7
SY062052
NORLEUCINE DL-FORM [MI]
NORLEUCINE DL-FORM [MI]
EINECS 210-462-7
AKOS000201118
NORLEUCINE DL-FORM [MI]
AKOS000201118
CHEBI:36405
CHEBI:36405
AKOS000201118
AS-17286
AS-17286
CHEBI:36405
NORLEUCINE, (L)
AS-17286
NORLEUCINE, (L)
SY036145
NORLEUCINE, (L)
SY036145
CS-W013425
SY036145
Z57127434
CS-W013425
CS-W013425
Q27116817
Z57127434
J-300346
Q27116817
Z57127434
NSC-74430
Q27116817
J-300346
AKOS016053503
J-300346
SB75379
NSC-74430
NSC-74430
EN300-18344
AKOS016053503
AKOS016053503
0FF7D875-44F8-41FA-8C5A-94108672BD95
SB75379
SB75379
N-8796
EN300-18344
EN300-18344
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9
0FF7D875-44F8-41FA-8C5A-94108672BD95
0FF7D875-44F8-41FA-8C5A-94108672BD95
(.+/-.)-Norleucine
N-8796
N-8796
(2R)-2-aminohexanoic acid
D-Norleucine
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9
InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9
NSC-203799
(.+/-.)-Norleucine
(.+/-.)-Norleucine
NSC 203799
(2R)-2-aminohexanoic acid
D-Norleucine
(2R)-2-aminohexanoic acid
D-Norleucine
NSC-203799
NSC-203799
NSC 203799
NSC 203799
物化性质
实验特性
LogP
1.28880
PSA
63.32000
Merck
6706
折射率
1.4630 (estimate)
水溶性
11.49 g/L (25 ºC)
沸点
234 °C at 760 mmHg
熔点
>300 °C (lit.)
闪点
95.3 °C
溶解度
11.49 g/L (25°C)
颜色与性状
不可用
溶解性
不可用
密度
1.1720
计算特性
精确分子量
131.09500
氢键供体数量
2
氢键受体数量
3
可旋转化学键数量
4
同位素质量
131.094629
重原子数量
9
复杂度
93.1
同位素原子数量
0
确定原子立构中心数量
0
不确定原子立构中心数量
1
确定化学键立构中心数量
0
不确定化学键立构中心数量
0
共价键单元数量
1
疏水参数计算参考值(XlogP)
-1.5
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
63.3
相关文献
1.
Collective displacements in a molecular crystal polymorphic transformation
Dirk Zahn,Jamshed Anwar RSC Adv. 2013 3 12810
2.
Do solid-to-solid polymorphic transitions in dl-norleucine proceed through nucleation?
Joost A. van den Ende,Mireille M. H. Smets,Dani?l T. de Jong,Sander J. T. Brugman,Bernd Ensing,Paul T. Tinnemans,Hugo Meekes,Herma M. Cuppen Faraday Discuss. 2015 179 421
3.
Nucleation in complex multi-component and multi-phase systems: general discussion
Sarah Price,Bart Rimez,Wenhao Sun,Baron Peters,Hugo Christenson,Colan Hughes,Changquan Calvin Sun,Stéphane Veesler,Haihua Pan,Clement Brandel,Beatrice Biscans,Hugo Meekes,Ian Rosbottom,Wieslaw J. Roth,Linda Seton,Francis Taulelle,Simon Black,Terence Threlfall,Peter Vekilov,Sendhil Poornachary,Jürg Diemand,Dimitrios Toroz,Matteo Salvalaglio,Pratchaya Tipduangta,Jan Sefcik,Samuel Booth,Ake Rasmuson,Sophie Janbon,Joop Ter Horst,Elena Simone,Robert Hammond,Celso Aparecido Bertran,Thomas Vetter,Richard Sear,Jim De Yoreo,Kenneth Harris,Radoljub Ristic,Anne Kavanagh,Kevin Roberts,Eric Breynaert,Allan Myerson,Gerard Coquerel,David Wu,Helmut C?lfen,Herma Cuppen,Mireille Smets,David T. Wu Faraday Discuss. 2015 179 503
4.
From oligomers towards a racemic crystal: molecular simulation of dl-norleucine crystal nucleation from solution
Philipp Ectors,Patrick Duchstein,Dirk Zahn CrystEngComm 2015 17 6884
5.
Construction of carbazole-based unnatural amino acid scaffolds via Pd(ii)-catalyzed C(sp3)–H functionalization
Ramandeep Kaur,Shefali Banga,Srinivasarao Arulananda Babu Org. Biomol. Chem. 2022 20 4391
6.
Energy barriers and mechanisms in solid–solid polymorphic transitions exhibiting cooperative motion
Joost A. van den Ende,Bernd Ensing,Herma M. Cuppen CrystEngComm 2016 18 4420
7.
Enantioselective biocatalytic formal α-amination of hexanoic acid to l-norleucine
Alexander Dennig,Somayyeh Gandomkar,Emmanuel Cigan,Tamara C. Reiter,Thomas Haas,Mélanie Hall,Kurt Faber Org. Biomol. Chem. 2018 16 8030
8.
High diastereoselection in the aldol reaction of the bistrimethylsilyl enol ether of methyl acetoacetate with 2-benzyloxyhexanal: synthesis of (–)-pestalotin
Hisahiro Hagiwara,Katsuhiko Kimura,Hisashi Uda J. Chem. Soc. Perkin Trans. 1 1992 693
9.
Simulation of solid-state phase transition in dl-methionine
Saba Ghasemlou,Bernd Ensing,Herma M. Cuppen CrystEngComm 2023 25 3618
10.
Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from Burkholderia thailandensis E264
Cheng Wang,Creston J. Flemming,Yi-Qiang Cheng Med. Chem. Commun. 2012 3 976
参考资料
Reaxys RN
1721748
Beilstein
4,433
960化工网为您提供DL-正亮氨酸专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:616-06-8,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等