[dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate

C7H15O8P — CID 11276960

IUPAC[dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate
SMILES[2H]C([2H])(OP(=O)(O)O)[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1/i2D2
InChIKeyFPLZFJHCPYNBEO-UEQULKTPSA-N
MW260.18 g/mol
LogP-2.44
Rot. Bonds3

About [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate

[dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate (PubChem CID 11276960) has the molecular formula C7H15O8P and a molecular weight of 260.18 g/mol. Its IUPAC name is [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate.

Molecular Properties

Compound Name[dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate
PubChem CID11276960
Molecular FormulaC7H15O8P
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name[dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate
SMILES[2H]C([2H])(OP(=O)(O)O)[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1/i2D2
InChIKeyFPLZFJHCPYNBEO-UEQULKTPSA-N
XLogP-2.44
TPSA147.68 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.18
LogP ≤ 5-2.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,4R,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl dihydrogen phosphate
CID 130291243
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
[(2S,3R,5S,6S)-2,3,5,6-tetrahydroxycyclohexyl] dihydrogen phosphate
CID 15886560
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
[(2R,4R)-3,4-dihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 71089787
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
CID 23594182
[(1R,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)-4-phosphonooxycyclopentyl]methyl dihydrogen phosphate
CID 102317623
CID 131865245
CID 131865245

Frequently Asked Questions

What is the IUPAC name of [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate?
The IUPAC name of [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate (CID 11276960) is [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate.
What is the SMILES notation for [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate?
The canonical SMILES for [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate is [2H]C([2H])(OP(=O)(O)O)[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate?
The InChIKey is FPLZFJHCPYNBEO-UEQULKTPSA-N. The full InChI is InChI=1S/C7H15O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1/i2D2.
What are the key properties of [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate?
[dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate has a molecular weight of 260.18 g/mol, XLogP of -2.44, 3 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dideuterio-[(1R,2R,3S,4S,5R)-2,3,4,5-tetrahydroxycyclohexyl]methyl] dihydrogen phosphate is sourced from PubChem (CID 11276960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).