(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-alpha-D-glucopyranoside
[CAS# 140391-24-8]

Identification

• Name: (3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-alpha-D-glucopyranoside
• Synonyms: (1S,2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-8-Hydroxy-8-Oxo-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.3.0]Nonane-3,4,5-Triol; (1S,2R,3S,4S,5R,6R)-2-[[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-8-Hydroxy-8-Oxo-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.3.0]Nonane-3,4,5-Triol; (1S,2R,3S,4S,5R,6R)-2-[(2R,3R,4R,5S,6R)-3-Amino-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-8-Hydroxy-8-Keto-7,9-Dioxa-8$L^{5}-Phosphabicyclo[4.3.0]Nonane-3,4,5-Triol
• Molecular Formula: C₁₂H₂₂NO₁₂P
• Molecular Weight: 403.28
• CAS Registry Number: 140391-24-8
• SMILES: [C@@H]12O[P](O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3N)CO)(=O)O
• InChI: 1S/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)/t2-,3-,4-,5-,6+,7+,8-,9-,10-,11+,12-/m1/s1
• InChIKey: ZULNQPCZALKHMF-LBZOJLJLSA-N

Properties

• Density: 1.891g/cm³ (Cal.)
• Boiling point: 688.92°C at 760 mmHg (Cal.)
• Flash point: 370.446°C (Cal.)