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

C6H11O9P-2 — CID 90657230

IUPAC[(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4+,5-,6-/m0/s1
InChIKeyHXRNACQBNUPKDX-FSIIMWSLSA-L
MW258.12 g/mol
LogP-4.37
Rot. Bonds3

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

[(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate (PubChem CID 90657230) has the molecular formula C6H11O9P-2 and a molecular weight of 258.12 g/mol. Its IUPAC name is [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate.

Molecular Properties

Compound Name[(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate
PubChem CID90657230
Molecular FormulaC6H11O9P-2
Molecular Weight258.12 g/mol
Exact Mass258.02
IUPAC Name[(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate
SMILESO=P([O-])([O-])OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4+,5-,6-/m0/s1
InChIKeyHXRNACQBNUPKDX-FSIIMWSLSA-L
XLogP-4.37
TPSA162.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 5-4.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate?
The IUPAC name of [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate (CID 90657230) is [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate.
What is the SMILES notation for [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate?
The canonical SMILES for [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate is O=P([O-])([O-])OC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate?
The InChIKey is HXRNACQBNUPKDX-FSIIMWSLSA-L. The full InChI is InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/p-2/t3-,4+,5-,6-/m0/s1.
What are the key properties of [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate?
[(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate has a molecular weight of 258.12 g/mol, XLogP of -4.37, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5S)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl phosphate is sourced from PubChem (CID 90657230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).