(1S,2S,3R,6R)-6-[[(2R,3S,4S,5R,6S)-4,5-Dihydroxy-6-Methoxy-2-Methyloxan-3-Yl]Amino]-4-(Hydroxymethyl)Cyclohex-4-Ene-1,2,3-Triol
[CAS# 140148-00-1]

Identification

• Name: (1S,2S,3R,6R)-6-[[(2R,3S,4S,5R,6S)-4,5-Dihydroxy-6-Methoxy-2-Methyloxan-3-Yl]Amino]-4-(Hydroxymethyl)Cyclohex-4-Ene-1,2,3-Triol
• Synonyms: (1S,2S,3R,6R)-6-[[(2R,3S,4S,5R,6S)-4,5-Dihydroxy-6-Methoxy-2-Methyl-Tetrahydropyran-3-Yl]Amino]-4-(Hydroxymethyl)Cyclohex-4-Ene-1,2,3-Triol; (1S,2S,3R,6R)-6-[[(2R,3S,4S,5R,6S)-4,5-Dihydroxy-6-Methoxy-2-Methyl-3-Tetrahydropyranyl]Amino]-4-(Hydroxymethyl)Cyclohex-4-Ene-1,2,3-Triol; (1S,2S,3R,6R)-6-[[(2R,3S,4S,5R,6S)-4,5-Dihydroxy-6-Methoxy-2-Methyl-Tetrahydropyran-3-Yl]Amino]-4-Methylol-Cyclohex-4-Ene-1,2,3-Triol
• Molecular Formula: C₁₄H₂₅NO₈
• Molecular Weight: 335.35
• CAS Registry Number: 140148-00-1
• SMILES: [C@H]2(N[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1C)OC)[C@H](O)[C@@H](O)[C@H](O)C(=C2)CO
• InChI: 1S/C14H25NO8/c1-5-8(11(19)13(21)14(22-2)23-5)15-7-3-6(4-16)9(17)12(20)10(7)18/h3,5,7-21H,4H2,1-2H3/t5-,7-,8-,9-,10+,11+,12+,13-,14+/m1/s1
• InChIKey: KFHKERRGDZTZQJ-YMRGHLOJSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 576.479°C at 760 mmHg (Cal.)
• Flash point: 302.444°C (Cal.)