α、 α-海藻糖6-磷酸 | 4484-88-2
中文名称:
α、 α-海藻糖6-磷酸
英文名称:
α,α-Trehalose 6-phosphate
CAS No.:
4484-88-2
分子式:
C1 2 H2 3 O1 4 P
分子量:
422.27600
名称和标识符
InChIKey
LABSPYBHMPDTEL-LIZSDCNHSA-N
Inchi
InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
SMILES
C(C1C(C(C(C(O1)OC2C(C(C(C(O2)COP(=O)(O)O)O)O)O)O)O)O)O
别名信息
- 英文别名 -
[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxyphosphonic acid
trehalose-6-phosphate
alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 6-(dihydrogen phosphate)
alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)
alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)
{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
T6P
T6P
alpha,alpha'-Trehalose 6-phosphate
alpha,alpha'-Trehalose 6-phosphate
NS00069870
NS00069870
Trehalose, 6-(dihydrogen phosphate)
Trehalose, 6-(dihydrogen phosphate)
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
.alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl, 6-(dihydrogen phosphate)
.alpha.-D-Glucopyranoside, .alpha.-D-glucopyranosyl, 6-(dihydrogen phosphate)
C00689
C00689
alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside
alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside
alpha,alpha-trehalose 6-phosphate
alpha,alpha-trehalose 6-phosphate
alpha,alpha-D-Trehalose-6-(dihydrogenphosphate)
alpha,alpha-D-Trehalose-6-(dihydrogenphosphate)
DB02430
DB02430
CHEBI:18283
CHEBI:18283
((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
trehalose 6-phosphate
trehalose 6-phosphate
.alpha.,.alpha.'-Trehalose 6-phosphate
4484-88-2
.alpha.,.alpha.'-Trehalose 6-phosphate
SCHEMBL20523251
4484-88-2
LABSPYBHMPDTEL-LIZSDCNHSA-N
SCHEMBL20523251
Q27102967
LABSPYBHMPDTEL-LIZSDCNHSA-N
Q27102967
Trehalose 6-phosphate
trehalose phosphate
alpha,alpha-Trehalose 6-phosphate
物化性质
实验特性
LogP
-5.28020
PSA
245.87000
计算特性
精确分子量
422.08300
氢键供体数量
9
氢键受体数量
14
可旋转化学键数量
6
同位素质量
422.08254240g/mol
重原子数量
27
复杂度
528
同位素原子数量
0
确定原子立构中心数量
10
不确定原子立构中心数量
0
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)
-5.8
拓扑分子极性表面积
236Ų
相关文献
1.
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3.
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4.
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5.
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10.
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