기본 정보
- CAS
55480-32-5- 표준 SMILES
O=CNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](NC=O)[C@H]3O)[C@H](NC=O)C[C@@H]2NC=O)[C@H](NC=O)C[C@@H]1O- InChIKey
JMGLFDPTTVFLFS-RBIMWZHDSA-N- 분자식
- C23H37N5O14
- 평균 분자량
- 607.6 g/mol
이름 및 식별자
- 우선 이름
- N-[[(2R,3S,5R,6R)-6-[(1R,2S,3S,4R,6S)-4,6-diformamido-3-[(2S,3R,4S,5S,6R)-4-formamido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-formamido-3-hydroxyoxan-2-yl]methyl]formamide
- IUPAC
- N-[[(2R,3S,5R,6R)-6-[(1R,2S,3S,4R,6S)-4,6-diformamido-3-[(2S,3R,4S,5S,6R)-4-formamido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-formamido-3-hydroxyoxan-2-yl]methyl]formamide
- 영어명
- O-3-Deoxy-3-(formylamino)-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis(formylamino)-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N,N''-diformyl-D-streptamine
- 분자식
- C23H37N5O14
- 분자량
- 607.57
이름 및 동의어
55480-32-5O-3-Deoxy-3-(formylamino)-?-D-glucopyranosyl-(1?6)-O-[2,3,6-trideoxy-2,6-bis(formylamino)-?-D-ribo-hexopyranosyl-(1?4)]-2-deoxy-N,N'-diformyl-D-streptamineO-3-Deoxy-3-(formylamino)-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis(formylamino)-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N,N'-diformyl-D-streptamineO-3-Deoxy-3-(formylamino)-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis(formylamino)-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N,N''-diformyl-D-streptamineD-Streptamine, O-3-deoxy-3-(formylamino)-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis(formylamino)-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N,N'-diformyl- (9CI)
데이터베이스 식별자
- CAS
55480-32-5
물성
구조 계산 물성
- XLogP
- -4.9
- 극성 표면적
- 284 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 906
물리화학적 성질
- 끓는 점
- 1189.2 · 1189.2±65.0 °C(Predicted)
- 밀도
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.73 · 12.73±0.70(Predicted)
화학 및 산업
응용 분야
용도O-3-Deoxy-3-(formylamino)-α-D-glucopyranosyl-(1→6)-O-[2,3,6-trideoxy-2,6-bis(formylamino)-α-D-ribo-hexopyranosyl-(1→4)]-2-deoxy-N,N''-diformyl-D-streptamine is an intermediate used in the synthesis of 3-N-Ureido Tobramycin Tetrahydrochloride Salt (1:2 mixture of 3-N-Ureido:1-N-Ureido, Technical Grade) (U824500), which is a related compound of Tobramycin (T524000).
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