[(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate

C5H8O14P3-5 — CID 20848918

IUPAC[(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O
InChIInChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/p-5/t2-,3-,4-,5-/m1/s1
InChIKeyPQGCEDQWHSBAJP-TXICZTDVSA-I
MW385.03 g/mol
LogP-5.39
Rot. Bonds7

About [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate

[(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate (PubChem CID 20848918) has the molecular formula C5H8O14P3-5 and a molecular weight of 385.03 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate
PubChem CID20848918
Molecular FormulaC5H8O14P3-5
Molecular Weight385.03 g/mol
Exact Mass384.92
IUPAC Name[(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O
InChIInChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/p-5/t2-,3-,4-,5-/m1/s1
InChIKeyPQGCEDQWHSBAJP-TXICZTDVSA-I
XLogP-5.39
TPSA243.89 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.03
LogP ≤ 5-5.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate?
The IUPAC name of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate (CID 20848918) is [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate.
What is the SMILES notation for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate?
The canonical SMILES for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate is O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate?
The InChIKey is PQGCEDQWHSBAJP-TXICZTDVSA-I. The full InChI is InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/p-5/t2-,3-,4-,5-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate?
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate has a molecular weight of 385.03 g/mol, XLogP of -5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-3,4-dihydroxy-5-[oxido(phosphonatooxy)phosphoryl]oxyoxolan-2-yl]methyl phosphate is sourced from PubChem (CID 20848918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).