[(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate

CAS: 2068-89-5

Molecular Formula	`C6H15O15P3`
Molecular Weight	420.1 g/mol
LogP	-7.0
Topological Polar Surface Area	261.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	15
Rotatable Bonds	6
Exact Mass	419.96237
Heavy Atoms	24
Complexity	574.0

Chemical Identifiers

CAS Number	2068-89-5
SMILES	`C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O`
InChIKey	`MMWCIQZXVOZEGG-HOZKJCLWSA-N`

📖 Product Overview

[(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate (CAS: 2068-89-5) is a chemical compound with molecular formula C6H15O15P3 and molecular weight 420.1 g/mol. Its IUPAC systematic name is [(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate. LogP -7.0 Topological Polar Surface Area 261.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 15 Rotatable Bonds 6 Exact Mass 419.96237 Heavy Atoms 24 Complexity 574.0 InChI Key: MMWCIQZXVOZEGG-HOZKJCLWSA-N. SMILES: C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [(1S,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate.

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