기본 정보
- CAS
81166-10-1- 표준 SMILES
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CO)C(O)CC2N)C(OC2OC(CO)C(O)C2OC2OC(CN)C(O)C(O)C2O)C1O.O=C(O)O.O=C(O)O- InChIKey
BWDSRPBXHPRAAU-UHFFFAOYSA-N- 분자식
- C29H55N5O22
- 평균 분자량
- 825.8 g/mol
- 단동위원소 질량
- 825.3338684
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 5-(O-(2-O-(6-Amino-6-deoxy-beta-idopyranosyl)-beta-ribofuranosyl)-1-N-4-amino-2-hydroxybutanoyl)-3'-deoxyparomamine
- IUPAC
- 4-amino-N-[5-amino-4-[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;carbonic acid
- 영어명
- 5-(O-(2-O-(6-amino-6-deoxy-beta-idopyranosyl)-beta-ribofuranosyl)-1-N-4-amino-2-hydroxybutanoyl)-3'-deoxyparomamine
- 분자식
- C28H53N5O19
- 분자량
- 763.75
이름 및 동의어
Ahb-deoxyparomamine81166-10-15-(O-(2-O-(6-Amino-6-deoxy-beta-idopyranosyl)-beta-ribofuranosyl)-1-N-4-amino-2-hydroxybutanoyl)-3'-deoxyparomamineRefChem:101831DTXSID7010018184-amino-N-[5-amino-4-[3-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[3-[6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide;carbonic acid5-(O-(2-O-(6-Amino-6-deoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl)-1-N-4-amino-2-hydroxybutanoyl)-3'-deoxyparomamine4-Amino-N-(5-amino-3-{[2-O-(6-amino-6-deoxyhexopyranosyl)pentofuranosyl]oxy}-4-[(2-amino-2,3-dideoxyhexopyranosyl)oxy]-2-hydroxycyclohexyl)-2-hydroxybutanimidic acid--carbonic acid (1/2)D-Streptamine, O-6-amino-6-deoxy-beta-L-idopyranosyl-(1-2)-O-beta-D-ribofuranosyl-(1-5)-O-(2-amino-2,3-dideoxy-alpha-D-ribo-hexopyranosyl-(1-4))-N1-(4-amino-2-hydroxy-1-oxobutyl)-2-deoxy-, carbonate (2:1) (salt)
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 486 Ų
- 수소 결합 공여자 수
- 18
- 수소 결합 수용자 수
- 26
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,050
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