기본 정보
- 표준 SMILES
O=C(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)C(O)C(O)C1O- InChIKey
HDYANYHVCAPMJV-UHFFFAOYSA-N- 분자식
- C15H22N2O18P2
- 평균 분자량
- 580.28 g/mol
- 단동위원소 질량
- 580.03428512
이름 및 식별자
- 우선 이름
- 6-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- IUPAC
- 6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
이름 및 동의어
SCHEMBL2787208DTXSID50863001HDYANYHVCAPMJV-UHFFFAOYSA-N6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidPD022583L001063Glucopyranuronic acid, 1-ester with uridine 5 inverted exclamation marka-pyrophosphate(2R,3R,4R,5S,6R)-6-[[[(2S,3R,4R,5R)-5-(2,4-Dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid6-((((((5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid6-{[{[{[5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 390
- DTXSID
DTXSID50863001
물성
구조 계산 물성
- XLogP
- -6.4
- 극성 표면적
- 309 Ų
- 수소 결합 공여자 수
- 9
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
3건
연결된 노트
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