기본 정보
- CAS
114903-05-8- 표준 SMILES
CO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@H]5O[C@H](CO)[C@@H](OCc6ccccc6)[C@H](OCc6ccccc6)[C@H]5N=[N+]=[N-])[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)[C@H](O)[C@H]3N=[N+]=[N-])[C@H](OCc3ccccc3)[C@H]2O)[C@H](OCc2ccccc2)[C@H]1NC(=O)OCc1ccccc1- InChIKey
YJFUPTPXBAYHGB-JFHRUGPCSA-N- 분자식
- C81H91N7O27
- 평균 분자량
- 1,594.6 g/mol
- 단동위원소 질량
- 1,593.59629065
이름 및 식별자
- 우선 이름
- N-3 Intermediate
- IUPAC
- (2R,3S,4R,5R,6R)-3-[(2R,3R,4R,5S,6R)-3-azido-5-[(2R,3R,4S,5S,6S)-5-[(2R,3R,4R,5S,6R)-3-azido-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]oxy-6-carboxy-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-[(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxy-5-(phenylmethoxycarbonylamino)oxan-3-yl]oxy-4-phenylmethoxyoxane-2-carboxylic acid
- 영어명
- a-D-Glucopyranoside, Methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylMethyl)-a-D-glucopyranosyl-(14) -O-2,3-bis-O-(phenylMethyl)-b-D-glucopyranuronosyl-(14)-O-2-azido- 2-deoxy-a-D-glucopyranosyl-(14)-O-3-O-(phenylMethyl)-a-L-idopyranu ronosyl-(14)-2-deoxy-2
- 분자식
- C81H91N7O27
- 분자량
- 1594.64
이름 및 동의어
114903-05-8N-3 Intermediatealpha-D-Glucopyranoside, methyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-alpha-D-glucopyranosyl-(1-->4)-O-2,3-bis-O-(phenylmethyl)-beta-D-glucopyranuronosyl-(1-->4)-O-2-azido-2-deoxy-alpha-D-glucopyranosyl-(1-->4)-O-3-O-(phenylmethyl)-alpha-L-idopyranuronosyl-(1-->4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-Fondaparinux sodium N-3Fondaparinux sodium Impurity N1DTXSID701378544FM45608AC-27761Methyl O-2-Azido-2-deoxy-3,4-bis-O-(phenylmethyl)-alpha-D-glucopyranosyl-(1-->4)-O-2,3-bis-O-(phenylmethylMethyl O-2-azido-2-deoxy-3,4-bis-O-(phenylmethyl)-I+/--D-glucopyranosyl-(1a4)-O-2,3-bis-O-(phenylmethyl)-I(2)-D-glucopyranuronosyl-(1a4)-O-2-azido-2-deoxy-I+/--D-glucopyranosyl-(1a4)-O-3-O-(phenylmethyl)-I+/--L-idopyranuronosyl-(1a4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-I+/--D-glucopyranosideMethyl-O-(2-azido-3,4-di-O-benzyl-2-deoxy-a-D-glucopyranosyl)-(1-4)-O-(2,3-di-O-benzyl-b-D-glucopyranosyluronicacid)- (1-4)-O-(2-azi do-2-deoxy-a-D-glucopyranosyl)-(1-4)-O-(3-O-benzyl-a-L-idopyranosyluronic acid)-(1-4)-3-O-benzyl- 2-benzyloxycarbonyla
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 390 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 31
- 회전 가능 결합 수
- 38
- 무거운 원자 수
- 115
- 형식 전하
- 0
- 복잡도
- 2,980
물리화학적 성질
- InChIKey
- YJFUPTPXBAYHGB-PLUDCGATNA-N
화학 및 산업
응용 분야
용도Methyl O-2-Azido-2-deoxy-3,4-bis-O-(phenylmethyl)-α-D-glucopyranosyl-(1→4)-O-2,3-bis-O-(phenylmethyl)-β-D-glucopyranuronosyl-(1→4)-O-2-azido-2-deoxy-α-D-glucopyranosyl-(1→4)-O-3-O-(phenylmethyl)-α-L-idopyranuronosyl-(1→4)-2-deoxy-2-[[(phenylmethoxy)carbonyl]amino]-3-O-(phenylmethyl)-α-D-glucopyranoside is an intermediate of Fondaparinux Sodium (F683500), a synthetic pentasaccharide corresponding to the anti-thrombin binding site of heparin. Anti-thrombotic.
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