[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate

C9H19O10P — CID 67951833

IUPAC[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
SMILESCCO[C@@H]1OC([C@H](O)COP(=O)(O)O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C9H19O10P/c1-2-17-9-7(13)5(11)6(12)8(19-9)4(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5?,6+,7-,8?,9-/m1/s1
InChIKeyBCUKSHQXULCDJJ-FCWWKUMPSA-N
MW318.22 g/mol
LogP-2.70
Rot. Bonds6

About [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate

[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate (PubChem CID 67951833) has the molecular formula C9H19O10P and a molecular weight of 318.22 g/mol. Its IUPAC name is [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
PubChem CID67951833
Molecular FormulaC9H19O10P
Molecular Weight318.22 g/mol
Exact Mass318.07
IUPAC Name[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate
SMILESCCO[C@@H]1OC([C@H](O)COP(=O)(O)O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C9H19O10P/c1-2-17-9-7(13)5(11)6(12)8(19-9)4(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5?,6+,7-,8?,9-/m1/s1
InChIKeyBCUKSHQXULCDJJ-FCWWKUMPSA-N
XLogP-2.70
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.22
LogP ≤ 5-2.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] 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

sodium;(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-ethoxyoxolane-3,4-diol;hydride
CID 173327837
(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 10759843
[(2S,4S,5S)-6-[(1R)-2-(2-aminoethoxy)-1-hydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] dihydrogen phosphate
CID 155630587
[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid
CID 10782771
[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate
CID 57343992
[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
CID 101460402
(2S,3R,4R,5R)-2-[(1S)-1,2-dihydroxyethyl]-5-[(2S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-5-octoxyoxolan-2-yl]-2-hydroxyethoxy]oxolane-3,4-diol
CID 10004100
N-[(3R)-3-[(2S,3R,4R)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-3-hydroxypropyl]benzamide
CID 101266359
3-[(2R)-2-[(2R,3R,4R,5S)-5-ethoxy-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl]-1-methyl-1-nitrosourea
CID 54400954
(3S,5S,6S)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163770117
(2R,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-octoxyoxolane-3,4-diol
CID 66988484
(2R,3R,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-dodecoxyoxolane-3,4-diol
CID 11382473

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?
The IUPAC name of [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate (CID 67951833) is [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?
The canonical SMILES for [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate is CCO[C@@H]1OC([C@H](O)COP(=O)(O)O)[C@@H](O)C(O)[C@H]1O.
What is the InChIKey of [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?
The InChIKey is BCUKSHQXULCDJJ-FCWWKUMPSA-N. The full InChI is InChI=1S/C9H19O10P/c1-2-17-9-7(13)5(11)6(12)8(19-9)4(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5?,6+,7-,8?,9-/m1/s1.
What are the key properties of [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate?
[(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate has a molecular weight of 318.22 g/mol, XLogP of -2.70, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxan-2-yl]-2-hydroxyethyl] dihydrogen phosphate is sourced from PubChem (CID 67951833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).