기본 정보
- CAS
24292-29-3- 표준 SMILES
O=C1C(CO)=C[C@@H](O)[C@H]2O[C@@H]12- InChIKey
VTLJDPHPVHSVGR-QXRNQMCJSA-N- 분자식
- C7H8O4
- 평균 분자량
- 156.14 g/mol
- 단동위원소 질량
- 156.04225873
개요
from Directed Fermentation of Penicillium concentricum; structure in first source
이름 및 식별자
- 우선 이름
- Epoxydon
- IUPAC
- (1R,5R,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
- 영어명
- (1R,6R)-5β-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
- 분자식
- C7H8O4
- 분자량
- 156.14
이름 및 동의어
Epoxydon24292-29-3EL7AGQ2T5MNSC-93049(1R,5R,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one(1R,2R,6R)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-5-one(1R,2R,6R)-2-hydroxy-4-(hydroxymethyl)-7-oxabicyclo(4.1.0)hept-3-en-5-one(1R,5R,6R)-5-hydroxy-3-(hydroxymethyl)-7-oxabicyclo(4.1.0)hept-3-en-2-oneRefChem:137368PhyllosinolEpoxydoneSPHAEROPSODIN
이름 더 보기
(1R,6R)-5β-Hydroxy-3-hydroxymethyl-7-oxabicyclo[4.1.0]hept-3-en-2-one(1R,6R)-5β-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one(1α,6α)-3-(Hydroxymethyl)-5β-hydroxy-7-oxabicyclo[4.1.0]hepta-3-ene-2-one(1R,5R,6R)-5-Hydroxy-3-(hydroxymethyl)-7-oxabicyclo[4.1.0]hepta-3-ene-2-one7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-, (1R,5R,6R)-
Upjohn 212 t2NSC93049U 15966(+)-Epoxydon7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-3-(hydroxymethyl)-(+)-EpoxidoneNSC 93049Antibiotic 212T2
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 233
물리화학적 성질
- 녹는점
- 40 · 40-45 °C
- 끓는 점
- 445.2 · 445.2±45.0 °C(Predicted)
- 밀도
- 1.567 · 1.567±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.66 · 12.66±0.40(Predicted)
화학 및 산업
공급사1 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…