1-[3,4-二羟基-5-(羟甲基)氧代烷-2-基]-5-甲基嘧啶-2,4-二酮 | 52486-19-8
1-[3,4-二羟基-5-(羟甲基)氧代烷-2-基]-5-甲基嘧啶-2,4-二酮
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
52486-19-8
C10H14N2O6
258.22800
名称和标识符
InChIKey |
DWRXFEITVBNRMK-UHFFFAOYSA-N |
Inchi |
InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17) |
SMILES |
CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O |
别名信息
- 英文别名 -
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- SR-01000078991
- 2,3H)-Pyrimidinedione, 1-.beta.-D-arabinofuranosyl-5-methyl-
- SCHEMBL14388592
- NSC68929
- FT-0602323
- NSC-77673
- SY020526
- 1-.beta.-D-Arabinofuranosylthymine
- Thymine, 1-.beta.-D-arabinofuranosyl-
- NS00080473
- DTXSID40862280
- NSC-68929
- 5-methyl-Uridine
- NCIOpen2_003208
- NCI60_032171
- NCIOpen2_007337
- DWRXFEITVBNRMK-UHFFFAOYSA-N
- FT-0632512
- SR-01000078991-1
- 5-METHYL-[3'-13C]URIDINE
- Uridine-1',2',3',4',5'-13C5, 5-methyl- (9CI)
- arabinofuranosylthymine
- AKOS001603461
- 52486-19-8
- 5-METHYL-[2'-13C]URIDINE
- 1-(-D-Xylofuranosyl)-5-methyluracil
- FT-0655418
- 5-Methyl-1-pentofuranosylpyrimidine-2,4(1H,3H)-dione
- Thymine-beta-D -arabinofuranoside
- SMR003733081
- MLS006011650
- CCG-104047
- NSC77673
- NSC-103258
- Thymine 1-beta-D-arabinofuranoside, >=99%
- PD099508
- NSC103258
- AS-12083
- 5-METHYL-[5'-13C]URIDINE
物化性质
实验特性
LogP |
-2.54350 |
PSA |
124.78000 |
计算特性
精确分子量 |
258.08500 |
氢键供体数量 |
4 |
氢键受体数量 |
6 |
可旋转化学键数量 |
2 |
同位素质量 |
258.08518617g/mol |
重原子数量 |
18 |
复杂度 |
409 |
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 |
4 |
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) |
-1.6 |
拓扑分子极性表面积 |
119Ų |