hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate

C5H11O9P — CID 171123123

IUPAChydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESO=P(O)(OO)OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11O9P/c6-3-2(13-5(8)4(3)7)1-12-15(10,11)14-9/h2-9H,1H2,(H,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyRFMXGQTUCLOSLU-AIHAYLRMSA-N
MW246.11 g/mol
LogP-1.97
Rot. Bonds4

About hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate

hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate (PubChem CID 171123123) has the molecular formula C5H11O9P and a molecular weight of 246.11 g/mol. Its IUPAC name is hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate.

Molecular Properties

Compound Namehydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
PubChem CID171123123
Molecular FormulaC5H11O9P
Molecular Weight246.11 g/mol
Exact Mass246.01
IUPAC Namehydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILESO=P(O)(OO)OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11O9P/c6-3-2(13-5(8)4(3)7)1-12-15(10,11)14-9/h2-9H,1H2,(H,10,11)/t2-,3-,4-,5+/m1/s1
InChIKeyRFMXGQTUCLOSLU-AIHAYLRMSA-N
XLogP-1.97
TPSA145.91 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 5-1.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
CID 131865245
CID 131865245
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
CID 24794356
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218

Frequently Asked Questions

What is the IUPAC name of hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate?
The IUPAC name of hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate (CID 171123123) is hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate.
What is the SMILES notation for hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate?
The canonical SMILES for hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate is O=P(O)(OO)OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate?
The InChIKey is RFMXGQTUCLOSLU-AIHAYLRMSA-N. The full InChI is InChI=1S/C5H11O9P/c6-3-2(13-5(8)4(3)7)1-12-15(10,11)14-9/h2-9H,1H2,(H,10,11)/t2-,3-,4-,5+/m1/s1.
What are the key properties of hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate?
hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate has a molecular weight of 246.11 g/mol, XLogP of -1.97, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 171123123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).