[(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate

C6H9O9P-2 — CID 135070307

IUPAC[(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate
SMILESO=C(O)C1(O)C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O1
InChIInChI=1S/C6H11O9P/c7-3-1-6(10,5(8)9)15-4(3)2-14-16(11,12)13/h3-4,7,10H,1-2H2,(H,8,9)(H2,11,12,13)/p-2/t3-,4-,6?/m1/s1
InChIKeyVBVGMWXQCZHIPM-GPZYNHNGSA-L
MW256.10 g/mol
LogP-3.25
Rot. Bonds4

About [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate

[(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate (PubChem CID 135070307) has the molecular formula C6H9O9P-2 and a molecular weight of 256.10 g/mol. Its IUPAC name is [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate
PubChem CID135070307
Molecular FormulaC6H9O9P-2
Molecular Weight256.10 g/mol
Exact Mass256.00
IUPAC Name[(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate
SMILESO=C(O)C1(O)C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O1
InChIInChI=1S/C6H11O9P/c7-3-1-6(10,5(8)9)15-4(3)2-14-16(11,12)13/h3-4,7,10H,1-2H2,(H,8,9)(H2,11,12,13)/p-2/t3-,4-,6?/m1/s1
InChIKeyVBVGMWXQCZHIPM-GPZYNHNGSA-L
XLogP-3.25
TPSA159.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 5-3.25
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

2,4,5-trihydroxy-6-(phosphonooxymethyl)oxane-2-carboxylic acid
CID 14380869
barium(2+);[(2S,3R,4R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl phosphate
CID 133126663
[(2R,3S,4R)-3,4,5-trihydroxy(413C)oxolan-2-yl]methyl phosphate
CID 24794356
[(2R,3S,4S)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate
CID 21125049
[(2R,3S,4R)-3,4,5-trihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]methyl phosphate
CID 135053793
2,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 18504511
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
[(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
2,4-dihydroxy-6-(hydroxymethyl)-5-(hydroxymethylamino)oxane-2-carboxylic acid
CID 118934558
barium(2+);[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate;hydrate
CID 45047075

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate?
The IUPAC name of [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate (CID 135070307) is [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate.
What is the SMILES notation for [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate?
The canonical SMILES for [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate is O=C(O)C1(O)C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O1.
What is the InChIKey of [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate?
The InChIKey is VBVGMWXQCZHIPM-GPZYNHNGSA-L. The full InChI is InChI=1S/C6H11O9P/c7-3-1-6(10,5(8)9)15-4(3)2-14-16(11,12)13/h3-4,7,10H,1-2H2,(H,8,9)(H2,11,12,13)/p-2/t3-,4-,6?/m1/s1.
What are the key properties of [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate?
[(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate has a molecular weight of 256.10 g/mol, XLogP of -3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-5-carboxy-3,5-dihydroxyoxolan-2-yl]methyl phosphate is sourced from PubChem (CID 135070307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).