(2S,3S,4S,5R,6S)-6-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
[CAS# 38099-65-9]

Identification

• Name: (2S,3S,4S,5R,6S)-6-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]-3,4,5-Trihydroxyoxane-2-Carboxylic Acid
• Synonyms: (2S,3S,4S,5R,6S)-6-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[4-[Bis(2-Chloroethyl)Amino]Phenoxy]-3,4,5-Trihydroxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₁₆H₂₁Cl₂NO₇
• Molecular Weight: 410.25
• CAS Registry Number: 38099-65-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC2=CC=C(N(CCCl)CCCl)C=C2
• InChI: 1S/C16H21Cl2NO7/c17-5-7-19(8-6-18)9-1-3-10(4-2-9)25-16-13(22)11(20)12(21)14(26-16)15(23)24/h1-4,11-14,16,20-22H,5-8H2,(H,23,24)/t11-,12-,13+,14-,16+/m0/s1
• InChIKey: FKAKYXAWOQIXGQ-JHZZJYKESA-N

Properties

• Density: 1.554g/cm³ (Cal.)
• Boiling point: 666.313°C at 760 mmHg (Cal.)
• Flash point: 356.773°C (Cal.)