[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate

C8H17O10P — CID 100966696

IUPAC[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate
SMILESCO[C@@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O
InChIInChI=1S/C8H17O10P/c1-16-8-5(12)7(18-19(13,14)15)4(11)6(17-8)3(10)2-9/h3-12H,2H2,1H3,(H2,13,14,15)/t3-,4+,5-,6+,7-,8+/m0/s1
InChIKeyFVGRNBIGRSPAMQ-NTZPWTIWSA-N
MW304.19 g/mol
LogP-3.09
Rot. Bonds5

About [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate

[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate (PubChem CID 100966696) has the molecular formula C8H17O10P and a molecular weight of 304.19 g/mol. Its IUPAC name is [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate
PubChem CID100966696
Molecular FormulaC8H17O10P
Molecular Weight304.19 g/mol
Exact Mass304.06
IUPAC Name[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate
SMILESCO[C@@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O
InChIInChI=1S/C8H17O10P/c1-16-8-5(12)7(18-19(13,14)15)4(11)6(17-8)3(10)2-9/h3-12H,2H2,1H3,(H2,13,14,15)/t3-,4+,5-,6+,7-,8+/m0/s1
InChIKeyFVGRNBIGRSPAMQ-NTZPWTIWSA-N
XLogP-3.09
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.19
LogP ≤ 5-3.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate
CID 101460402
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
[(2R,3R,4R,5S,6S)-2-[(1S)-1,2-dihydroxyethyl]-4-[(2R,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydroxyoxan-3-yl] dihydrogen phosphate
CID 91851565
[(2R)-2-hydroxy-2-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]phosphonic acid
CID 10782771
(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 122228900
(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
CID 70617572
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-methoxyoxolane-2,4-diol
CID 102594810
[(3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl] phosphate
CID 46878581
(2R,4S,5R)-2-[(3S,4R,6S)-4-[(2S,3S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-[(2R,4R,5S)-4-[(2S,3S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 157456974
(2S,3S,4S,5S,6S)-2-[(1S)-2-diethoxyphosphoryl-1-hydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 10759843
(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 102594814

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate?
The IUPAC name of [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate (CID 100966696) is [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate is CO[C@@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O.
What is the InChIKey of [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate?
The InChIKey is FVGRNBIGRSPAMQ-NTZPWTIWSA-N. The full InChI is InChI=1S/C8H17O10P/c1-16-8-5(12)7(18-19(13,14)15)4(11)6(17-8)3(10)2-9/h3-12H,2H2,1H3,(H2,13,14,15)/t3-,4+,5-,6+,7-,8+/m0/s1.
What are the key properties of [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate?
[(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate has a molecular weight of 304.19 g/mol, XLogP of -3.09, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5S,6R)-2-[(1S)-1,2-dihydroxyethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl] dihydrogen phosphate is sourced from PubChem (CID 100966696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).