2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate

C7H15O9P — CID 101430180

IUPAC2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O9P/c8-4-3(1-2-15-17(12,13)14)16-7(11)6(10)5(4)9/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
InChIKeyAWITVWHYBZFLSC-ZFYZTMLRSA-N
MW274.16 g/mol
LogP-2.71
Rot. Bonds4

About 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate

2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate (PubChem CID 101430180) has the molecular formula C7H15O9P and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate
PubChem CID101430180
Molecular FormulaC7H15O9P
Molecular Weight274.16 g/mol
Exact Mass274.05
IUPAC Name2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate
SMILESO=P(O)(O)OCC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C7H15O9P/c8-4-3(1-2-15-17(12,13)14)16-7(11)6(10)5(4)9/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
InChIKeyAWITVWHYBZFLSC-ZFYZTMLRSA-N
XLogP-2.71
TPSA156.91 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.16
LogP ≤ 5-2.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl dihydrogen phosphate
CID 70363468
CID 131865245
CID 131865245
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165
[(2R,3S,4S,5S)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 46876838
barium(2+);hydride;[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 173352052
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;phosphoric acid
CID 66665794
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl dihydrogen phosphate
CID 91858270
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen phosphate
CID 42609823
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885
disodium;hydride;[(2S,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methylphosphonic acid
CID 173224626

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate?
The IUPAC name of 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate (CID 101430180) is 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate is O=P(O)(O)OCC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate?
The InChIKey is AWITVWHYBZFLSC-ZFYZTMLRSA-N. The full InChI is InChI=1S/C7H15O9P/c8-4-3(1-2-15-17(12,13)14)16-7(11)6(10)5(4)9/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1.
What are the key properties of 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate?
2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate has a molecular weight of 274.16 g/mol, XLogP of -2.71, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethyl dihydrogen phosphate is sourced from PubChem (CID 101430180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).