[(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate

C8H17O8P — CID 15265948

IUPAC[(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H]1[C@@H](OCCO)C[C@@H](O)C[C@@H]1O
InChIInChI=1S/C8H17O8P/c9-1-2-15-7-4-5(10)3-6(11)8(7)16-17(12,13)14/h5-11H,1-4H2,(H2,12,13,14)/t5-,6-,7-,8-/m0/s1
InChIKeyAQOMOKLTJWIJLJ-XAMCCFCMSA-N
MW272.19 g/mol
LogP-1.64
Rot. Bonds5

About [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate

[(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate (PubChem CID 15265948) has the molecular formula C8H17O8P and a molecular weight of 272.19 g/mol. Its IUPAC name is [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate
PubChem CID15265948
Molecular FormulaC8H17O8P
Molecular Weight272.19 g/mol
Exact Mass272.07
IUPAC Name[(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H]1[C@@H](OCCO)C[C@@H](O)C[C@@H]1O
InChIInChI=1S/C8H17O8P/c9-1-2-15-7-4-5(10)3-6(11)8(7)16-17(12,13)14/h5-11H,1-4H2,(H2,12,13,14)/t5-,6-,7-,8-/m0/s1
InChIKeyAQOMOKLTJWIJLJ-XAMCCFCMSA-N
XLogP-1.64
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 5-1.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] 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-amino-4-hydroxycyclopentyl) dihydrogen phosphate
CID 45098875
[(2S,3R,5S,6S)-2,3,5,6-tetrahydroxycyclohexyl] dihydrogen phosphate
CID 15886560
bis(dihydroxy(oxo)phosphanium);[(1R)-5-hydroxy-2,3-diphosphonooxycyclohexyl] dihydrogen phosphate;phosphonous acid;trihydrate
CID 159936380
(2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
CID 477
(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate;phosphane
CID 87060873
[(1S,2R,3S,4S,5R,6R)-2,3-dibutoxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 18394293
[(1R,2R,3R,4R,5S,6S)-2,3-dihydroxy-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 11762822
(1S,2R,3S,5S)-3-(2-hydroxyethoxy)-6-oxabicyclo[3.1.0]hexan-2-ol
CID 141351698
Phytic acid dimagnesium tetrapotassium salt, ~95%
CID 71308444
2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
(1R,2S,3R,5S)-3-amino-5-(2-hydroxyethoxy)cyclopentane-1,2-diol
CID 141351699
(2-hydroxycyclopentyl) dihydrogen phosphate
CID 74986939

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate?
The IUPAC name of [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate (CID 15265948) is [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate.
What is the SMILES notation for [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate?
The canonical SMILES for [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate is O=P(O)(O)O[C@@H]1[C@@H](OCCO)C[C@@H](O)C[C@@H]1O.
What is the InChIKey of [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate?
The InChIKey is AQOMOKLTJWIJLJ-XAMCCFCMSA-N. The full InChI is InChI=1S/C8H17O8P/c9-1-2-15-7-4-5(10)3-6(11)8(7)16-17(12,13)14/h5-11H,1-4H2,(H2,12,13,14)/t5-,6-,7-,8-/m0/s1.
What are the key properties of [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate?
[(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate has a molecular weight of 272.19 g/mol, XLogP of -1.64, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S,6S)-2,4-dihydroxy-6-(2-hydroxyethoxy)cyclohexyl] dihydrogen phosphate is sourced from PubChem (CID 15265948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).