3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
기본 정보
- CAS
149952-35-2- 표준 SMILES
O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O- InChIKey
UPHPWXPNZIOZJL-LXOASSSBSA-N- 분자식
- C6H19O27P7
- 평균 분자량
- 740.02 g/mol
- 단동위원소 질량
- 739.8277043
개요
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate is a myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 1, 2, 4, 5 and 6 as well as a diphospho group at position 3. It is functionally related to a myo-inositol. It is a conjugate acid of a 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-).
이름 및 식별자
- 우선 이름
- 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate
- IUPAC
- [(2S,3R,5S,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate
이름 및 동의어
3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate3-PP-IP51,2,4,5,6-pentakis-O-phosphono-1D-myo-inositol 3-(trihydrogen diphosphate)(1S,2S,3R,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphateSCHEMBL6710149SCHEMBL30629453CHEBI:62922DTXSID00332070Q27132282(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate[(2S,3S,5R,6S)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphaterel-(2R,3S,5R,6R)-2,3,4,5,6-Pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
이름 더 보기
149952-35-2
데이터베이스 식별자
- CAS
149952-35-2- PubChem CID
- 10747577
- DTXSID
DTXSID00332070- ChEBI
CHEBI:62922
물성
구조 계산 물성
- XLogP
- -11.4
- 극성 표면적
- 447 Ų
- 수소 결합 공여자 수
- 13
- 수소 결합 수용자 수
- 27
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,160
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