기본 정보
- CAS
19237-18-4- 표준 SMILES
C=C[C@@H](O)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
MYHSVHWQEVDFQT-AUYZFIFFSA-N- 분자식
- C11H19NO10S2
- 평균 분자량
- 389.4 g/mol
- 단동위원소 질량
- 389.04503815
개요
Epi-progoitrin is the stereoisomer of -progoitrin that has S at the carbon bearing the allylic hydroxy group. It has a role as a plant metabolite. It is a conjugate acid of an epi-progoitrin(1-).
이름 및 식별자
- 우선 이름
- Epiprogoitrin
- IUPAC
- [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate
- 현지명
- 에피프로고이트린
- 영어명
- EPIPROGOITRIN
- 분자식
- C11H19NO10S2
- 분자량
- 389.4
이름 및 동의어
epi-ProgoitrinEpiprogoitrinGLUCORAPIFERIN, (S)-CHEBI:7935168D6LTC940(2S)-2-hydroxy-3-butenyl glucosinolate(S)-2-hydroxy-but-3-enyl-glucosinolate.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-((3S)-3-HYDROXY-N-(SULFOOXY)-4-PENTENIMIDATE)1-S-[(3S)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose1-S-((3S)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl)-1-thio-beta-D-glucopyranoseAI3-52767RefChem:590940
이름 더 보기
에피프로고이트린epi-progoitrin(1-)β-D-Glucopyranose, 1-thio-, 1-[(3S)-3-hydroxy-N-(sulfooxy)-4-pentenimidate]1-Thio-β-D-glucopyranose 1-[(S)-N-(hydroxysulfonyloxy)-3-hydroxy-4-penteneimidate]
1-Thio-beta-D-glucopyranose 1-((3S)-3-hydroxy-N-(sulfooxy)-4-pentenimidate)beta-D-Glucopyranose, 1-thio-, 1-((3S)-3-hydroxy-N-(sulfooxy)-4-pentenimidate)beta-D-Glucopyranose, 1-thio-, 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate), (S)-Glucopyranose, 1-thio-, 1-((S)-3-hydroxy-4-pentenohydroximate) NO-(hydrogen sulfate), beta-D-beta-D-Glucopyranose, 1-thio-, 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate), (S)-(9CI)[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-N-sulfooxypent-4-enimidothioateNS00123639
물성
구조 계산 물성
- XLogP
- -1.9
- 극성 표면적
- 220 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 547
화학 및 산업
공급사10 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
北京沃凯生物科技有限公司010-62971590 18548936886 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
广州奥司汀生物技术有限公司15918640830 13268843209 · [email protected]
추가 설명
정의ChEBI: The stereoisomer of xi-progoitrin that has S at the carbon bearing the allylic hydroxy group.
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