(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one

HCID 69625525
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기본 정보

표준 SMILES
CC(C)C[C@H]1CC(=O)N(C2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1
InChIKey
BSKMCHXCKWARJQ-RZAKBIKASA-N
분자식
C20H35NO11
평균 분자량
465.5 g/mol

이름 및 식별자

우선 이름
(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one
IUPAC
(4S)-1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-4-(2-methylpropyl)pyrrolidin-2-one

이름 및 동의어

SCHEMBL5976156BSKMCHXCKWARJQ-RZAKBIKASA-N(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5 -trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one(S)-1-[3,4-dihydroxy-6-hydroxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yl]-4-isobutyl-pyrrolidin-2-one

데이터베이스 식별자

PubChem CID
69625525

물성

구조 계산 물성

XLogP
-2.9
극성 표면적
190 Ų
수소 결합 공여자 수
7
수소 결합 수용자 수
11
회전 가능 결합 수
7
무거운 원자 수
32

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