[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate

C5H9O8P-2 — CID 24794356

IUPAC[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@H]1OC(O)[13C@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)/p-2/t2-,3-,4-,5?/m1/s1/i4+1
InChIKeyKTVPXOYAKDPRHY-VTUWIFRDSA-L
MW229.09 g/mol
LogP-3.73
Rot. Bonds3

About [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate

[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate (PubChem CID 24794356) has the molecular formula C5H9O8P-2 and a molecular weight of 229.09 g/mol. Its IUPAC name is [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
PubChem CID24794356
Molecular FormulaC5H9O8P-2
Molecular Weight229.09 g/mol
Exact Mass229.01
IUPAC Name[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@H]1OC(O)[13C@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)/p-2/t2-,3-,4-,5?/m1/s1/i4+1
InChIKeyKTVPXOYAKDPRHY-VTUWIFRDSA-L
XLogP-3.73
TPSA142.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 5-3.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
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
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 23421199
barium(2+);[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate;hydrate
CID 45047075
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl phosphate
CID 86289748
[(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

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate?
The IUPAC name of [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate (CID 24794356) is [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate.
What is the SMILES notation for [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate?
The canonical SMILES for [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate is O=P([O-])([O-])OC[C@H]1OC(O)[13C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate?
The InChIKey is KTVPXOYAKDPRHY-VTUWIFRDSA-L. 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)/p-2/t2-,3-,4-,5?/m1/s1/i4+1.
What are the key properties of [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate?
[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate has a molecular weight of 229.09 g/mol, XLogP of -3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate is sourced from PubChem (CID 24794356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).