기본 정보
- CAS
165874-27-1- 표준 SMILES
C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@@H]3COC(c4ccccc4)O[C@H]3[C@@H](OCc3ccccc3)[C@H]2N2C(=O)c3ccccc3C2=O)[C@@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O- InChIKey
OORGHYBFFUYXFC-RSFYGPNASA-N- 분자식
- C59H54N2O13
- 평균 분자량
- 999.1 g/mol
이름 및 식별자
- 우선 이름
- 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
- IUPAC
- 2-[(4aR,6S,7R,8S,8aS)-6-[(2R,3S,4S,5R,6R)-5-(1,3-dioxoisoindol-2-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione
- 영어명
- .alpha.-D-Allopyranoside, 2-propenyl 2-deoxy-4-O-2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-.beta.-D-allopyranosyl-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)-
- 분자식
- C59H54N2O13
- 분자량
- 999.07
이름 및 동의어
α-D-Allopyranoside, 2-propenyl 2-deoxy-4-O-[2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-β-D-allopyranosyl]-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)- (9CI).alpha.-D-Allopyranoside, 2-propenyl 2-deoxy-4-O-2-deoxy-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-O-(phenylmethyl)-4,6-O-(phenylmethylene)-.beta.-D-allopyranosyl-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-3,6-bis-O-(phenylmethyl)-
데이터베이스 식별자
- CAS
165874-27-1
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 158 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 74
- 형식 전하
- 0
- 복잡도
- 1,850
물리화학적 성질
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -2.53 · -2.53±0.20(Predicted)
관련 반응
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