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

C5H11O8P — CID 167077165

IUPAC[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2?,3-,4-,5?/m1/s1
InChIKeyKTVPXOYAKDPRHY-UUUZDELHSA-N
MW230.11 g/mol
LogP-2.47
Rot. Bonds3

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

[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate (PubChem CID 167077165) has the molecular formula C5H11O8P and a molecular weight of 230.11 g/mol. Its IUPAC name is [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
PubChem CID167077165
Molecular FormulaC5H11O8P
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SMILESO=P(O)(O)OCC1OC(O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2?,3-,4-,5?/m1/s1
InChIKeyKTVPXOYAKDPRHY-UUUZDELHSA-N
XLogP-2.47
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 5-2.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(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
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl dihydrogen phosphate
CID 91858270
[(2R,3S,4S,5R,6R)-4-amino-3,5,6-trihydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 10912218
[(2R,3S,4R,5R)-5-amino-3,4,6-trihydroxy(2,3,4,5,6-13C5)oxan-2-yl](113C)methyl dihydrogen phosphate;hydrate
CID 71317090
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
hydroxy [(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 171123123
[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
CID 24794356

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate (CID 167077165) is [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate is O=P(O)(O)OCC1OC(O)[C@H](O)[C@@H]1O.
What is the InChIKey of [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
The InChIKey is KTVPXOYAKDPRHY-UUUZDELHSA-N. The full InChI is InChI=1S/C5H11O8P/c6-3-2(1-12-14(9,10)11)13-5(8)4(3)7/h2-8H,1H2,(H2,9,10,11)/t2?,3-,4-,5?/m1/s1.
What are the key properties of [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate?
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate has a molecular weight of 230.11 g/mol, XLogP of -2.47, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 167077165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).