기본 정보
- CAS
148077-18-3- 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-UOTPTPDRSA-N- 분자식
- C6H19O27P7
- 평균 분자량
- 740.02 g/mol
- 단동위원소 질량
- 739.8277043
개요
1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate is a myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at position 1. It is a myo-inositol pentakisphosphate and a diphosphoinositol polyphosphate. It is functionally related to a myo-inositol. It is a conjugate acid of a 1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate(13-).
이름 및 식별자
- 우선 이름
- 1-Diphosinositol pentakisphosphate
- IUPAC
- [(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphate
- 현지명
- 1-디포스포이노시톨펜타키스포스페이트
- 영어명
- 1-diphosphoinositol pentakisphosphate
- 분자식
- C6H19O27P7
- 분자량
- 740.02
이름 및 동의어
1-Diphosinositol pentakisphosphate1-Dpipk148077-18-31-Diphosphoinositol pentakisphosphatePP-IP(5)Diphospho-myo-inositol pentakisphosphate1-diphospho-1D-myo-inositol 2,3,4,5,6-pentakisphosphate1-PP-IP5Diphosphoinositol pentakisphosphateD-myo-Inositol, 2,3,4,5,6-pentakis(dihydrogen phosphate) 1-(trihydrogen diphosphate)(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate2,3,4,5,6-pentakis-O-phosphono-1D-myo-inositol 1-(trihydrogen diphosphate)
이름 더 보기
1-디포스포이노시톨펜타키스포스페이트
(1R,2R,3R,4R,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate1D-myo-inositol 1-diphosphate 2,3,4,5,6-pentakisphosphateO811-(trihydrogen diphosphate)[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphono hydrogen phosphateCHEMBL4293256SCHEMBL29869445CHEBI:62919
데이터베이스 식별자
- CAS
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
물리화학적 성질
- 끓는 점
- 1246.106 · 1246.106±75.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 2.458 · 2.458±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 1.406 · 1.406±0.10(predicted)
화학 및 산업
추가 설명
정의ChEBI: A myo-inositol pentakisphosphate that consists of myo-inositol having the five phospho groups located at positions 2, 3, 4, 5 and 6 as well as a diphospho group at position 1.
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