[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(4-Isothiocyanatophenoxy)Oxan-2-Yl]Methyl Dihydrogen Phosphate
[CAS# 74141-15-4]

Identification

• Name: [(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(4-Isothiocyanatophenoxy)Oxan-2-Yl]Methyl Dihydrogen Phosphate
• Synonyms: [(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(4-Isothiocyanatophenoxy)Tetrahydropyran-2-Yl]Methyl Dihydrogen Phosphate; [(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(4-Isothiocyanatophenoxy)-2-Tetrahydropyranyl]Methyl Dihydrogen Phosphate; 4-Isothiocyanatophenyl-6-Phospho Alpha-D-Mannopyranoside
• Molecular Formula: C₁₃H₁₆NO₉PS
• Molecular Weight: 393.30
• CAS Registry Number: 74141-15-4
• SMILES: [C@@H]2(OC1=CC=C(C=C1)N=C=S)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO[P](=O)(O)O
• InChI: 1S/C13H16NO9PS/c15-10-9(5-21-24(18,19)20)23-13(12(17)11(10)16)22-8-3-1-7(2-4-8)14-6-25/h1-4,9-13,15-17H,5H2,(H2,18,19,20)/t9-,10-,11+,12+,13+/m1/s1
• InChIKey: JFSIORWKDATPCG-BNDIWNMDSA-N

Properties

• Density: 1.773g/cm³ (Cal.)
• Boiling point: 696.642°C at 760 mmHg (Cal.)
• Flash point: 375.116°C (Cal.)