(2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol

C7H13O6P — CID 58178598

IUPAC(2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CP=O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13O6P/c1-12-7-6(10)5(9)4(8)3(13-7)2-14-11/h3-10H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKeyLHQKIDMCZFJASQ-XUUWZHRGSA-N
MW224.15 g/mol
LogP-1.27
Rot. Bonds3

About (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol (PubChem CID 58178598) has the molecular formula C7H13O6P and a molecular weight of 224.15 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol
PubChem CID58178598
Molecular FormulaC7H13O6P
Molecular Weight224.15 g/mol
Exact Mass224.04
IUPAC Name(2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CP=O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13O6P/c1-12-7-6(10)5(9)4(8)3(13-7)2-14-11/h3-10H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKeyLHQKIDMCZFJASQ-XUUWZHRGSA-N
XLogP-1.27
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(4S,5S,6R)-2-(aminomethyl)-6-methoxyoxane-3,4,5-triol
CID 59109229
(2S,3R,4S,5R,6S)-2-(chloromethyl)-6-methoxyoxane-3,4,5-triol
CID 118225421
(2S,5R)-2-methoxy-6-(sulfanylmethyl)oxane-3,4,5-triol
CID 144721467

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol (CID 58178598) is (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol is CO[C@@H]1O[C@H](CP=O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol?
The InChIKey is LHQKIDMCZFJASQ-XUUWZHRGSA-N. The full InChI is InChI=1S/C7H13O6P/c1-12-7-6(10)5(9)4(8)3(13-7)2-14-11/h3-10H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol?
(2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol has a molecular weight of 224.15 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-2-methoxy-6-(phosphorosomethyl)oxane-3,4,5-triol is sourced from PubChem (CID 58178598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).