CAS 54622-95-6 ST092333 (HCID 10932896)

기본 정보

CAS: 54622-95-6
표준 SMILES: CO[C@@H]1O[C@H](C(=O)O)[C@H]2OC(C)(C)O[C@@H]12
InChIKey: BTFKDZSYIKUCGF-BYPJNBLXSA-N
분자식: C9H14O6
평균 분자량: 218.2 g/mol
단동위원소 질량: 218.07903816

이름 및 식별자

우선 이름: ST092333
IUPAC: (3aR,4R,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
현지명: 2,3-O-이소프로필리덴-1-O-메틸-D-리보산
영어명: 2,3-O-Isopropylidene-1-O-methyl-D-ribosic acid
분자식: C9H14O6
분자량: 218.2

이름 및 동의어

54622-95-6ST092333DTXSID20448844RefChem:381491DTXCID203996652,3-O-Isopropylidene-1-O-methyl-D-ribosic acid(3aS,4S,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acidMFCD10039832(3aR,4R,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acidmethyl 2,3-O-(1-methylethylidene)-beta-D-ribofuranosiduronic acid(3aS,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro [3,4-d][1,3]dioxole-4-carboxylic acidSCHEMBL6573945

이름 더 보기

2,3-O-이소프로필리덴-1-O-메틸-D-리보산2,3Isopropylidene-1methyl-D-ribosic acid, 97%2,3-O-Isopropylidene-1-O-methyl-D-ribosic acid-97%methyl 2,3-o-isopropylidene-á-d-ribofuranosiduronic acidMethyl 2,3-O-isopropylidene-beta-D-ribofuranosiduronic acidMethyl 2,3-O-(1-methylethylidene)-β-D-ribofuranosiduronic acidβ-D-Ribofuranosiduronic acid, methyl 2,3-O-(1-methylethylidene)-1-Methoxy-2,3-O-isopropylidene-β-D-ribofuranosyl-5-carboxylic acid(3AS,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 74.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 276

물리화학적 성질

녹는점: 129 · 129-130°C
끓는 점: 341.6 · 341.6±42.0 °C(Predicted)
밀도: 1.34 · 1.34±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됩니다.
산도 계수 (pKa): 2.67 · 2.67±0.60(Predicted)
InChI: InChI=1/C9H14O6/c1-9(2)14-4-5(7(10)11)13-8(12-3)6(4)15-9/h4-6,8H,1-3H3,(H,10,11)/t4-,5,6-,8/s3
InChIKey: BTFKDZSYIKUCGF-DSRBPVEZNA-N
SMILES: [C@]12([H])OC(C)(C)O[C@@]1([H])C(OC2C(=O)O)OC |&1:0,7,r|

안전 및 규제

안전 데이터

safety_code: 22-24/25

화학 및 산업

상·하류 제품 정보

상류 원료

공급사44 곳

湖北博杰生物科技有限公司0713-2060728 15629612610

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

화합물 노트

불러오는 중…

2,3-O-이소프로필리덴-1-O-메틸-D-리보산