2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate

C7H15O8P — CID 70363468

IUPAC2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-3-5-7(10)6(9)4(15-5)1-2-14-16(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6-,7-/m1/s1
InChIKeyFKSCSYLDWOITLN-DBRKOABJSA-N
MW258.16 g/mol
LogP-2.03
Rot. Bonds5

About 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate

2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate (PubChem CID 70363468) has the molecular formula C7H15O8P and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate
PubChem CID70363468
Molecular FormulaC7H15O8P
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O8P/c8-3-5-7(10)6(9)4(15-5)1-2-14-16(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6-,7-/m1/s1
InChIKeyFKSCSYLDWOITLN-DBRKOABJSA-N
XLogP-2.03
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate
CID 101430180
[(3S,6R)-3,4,5-trihydroxy-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
CID 70905911
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phosphonic acid
CID 71458097
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 67794900
[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 58434201
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 12773693
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate?
The IUPAC name of 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate (CID 70363468) is 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate is O=P(O)(O)OCC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate?
The InChIKey is FKSCSYLDWOITLN-DBRKOABJSA-N. The full InChI is InChI=1S/C7H15O8P/c8-3-5-7(10)6(9)4(15-5)1-2-14-16(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5-,6-,7-/m1/s1.
What are the key properties of 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate?
2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate has a molecular weight of 258.16 g/mol, XLogP of -2.03, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate is sourced from PubChem (CID 70363468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).