2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate
基本情報
- CAS
94714-46-2- 標準SMILES
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O)O2)cc1CO- InChIKey
RQKDPSTWKKMBPM-XLPZGREQSA-N- 分子式
- C10H17N3O11P2
- 平均分子量
- 417.2 g/mol
- 単同位体質量
- 417.03383236
概要
2'-deoxy-5-hydroxymethyl-CDP is a pyrimidine 2'-deoxyribonucleoside 5'-diphosphate that is 2'-deoxycytidine 5'-diphosphate (CDP) substituted by a hydroxymethyl group at position 5. It is functionally related to a CDP.
名称と識別子
- 優先名称
- 2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate
- IUPAC
- [(2R,3S,5R)-5-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
名称と別名
2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphate94714-46-22'-deoxy-5-hydroxymethyl-CDP2'-deoxy-5-(hydroxymethyl)cytidine 5'-(trihydrogen diphosphate)CHEBI:835[(2R,3S,5R)-5-[4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateDTXSID903320492'-deoxy-5-hydroxymethylcytidine 5'-diphosphatediphosphoric acid mono-(5-hydroxymethyl-2'-deoxy-cytidin-5'-yl ester)((2R,3S,5R)-5-(4-amino-5-(hydroxymethyl)-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methyl phosphono hydrogen phosphateRefChem:80268DTXCID90283143
名称をさらに表示
2'-Deoxy-5-hydroxymethylcytidine 5'-diphosphoric acid2'-Deoxy-5-hydroxymethylcytidine-5'-diphosphoric acidDiphosphate mono-(5-hydroxymethyl-2'-deoxy-cytidin-5'-yl ester)((2R,3S,5R)-5-(4-Amino-5-(hydroxymethyl)-2-oxopyrimidin-1(2H)-yl)-3-hydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphateSCHEMBL2926533Q27105365Cytidine, 2'-deoxy-5-(hydroxymethyl)-, 5'-pyrophosphate2(1H)-pyrimidinone, 4-amino-1-[2-deoxy-5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-erythro-pentofuranosyl]-5-(hydroxymethyl)-
データベース識別子
- CAS
94714-46-2- PubChem CID
- 443051
- DTXSID
DTXSID90332049- ChEBI
CHEBI:835- Nikkaji
- J2.787.088K
物性
構造計算による物性
- XLogP
- -4.7
- 極性表面積
- 222 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 11
- 回転可能結合数
- 7
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 719
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