(4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol

C8H17O6P — CID 14887752

IUPAC(4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol
SMILESCOC1C[C@H](O)[C@H](P(=O)(OC)OC)CO1
InChIInChI=1S/C8H17O6P/c1-11-8-4-6(9)7(5-14-8)15(10,12-2)13-3/h6-9H,4-5H2,1-3H3/t6-,7+,8?/m0/s1
InChIKeyJJNQDDFYTOIMLY-KJFJCRTCSA-N
MW240.19 g/mol
LogP0.59
Rot. Bonds4

About (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol

(4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol (PubChem CID 14887752) has the molecular formula C8H17O6P and a molecular weight of 240.19 g/mol. Its IUPAC name is (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol.

Molecular Properties

Compound Name(4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol
PubChem CID14887752
Molecular FormulaC8H17O6P
Molecular Weight240.19 g/mol
Exact Mass240.08
IUPAC Name(4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol
SMILESCOC1C[C@H](O)[C@H](P(=O)(OC)OC)CO1
InChIInChI=1S/C8H17O6P/c1-11-8-4-6(9)7(5-14-8)15(10,12-2)13-3/h6-9H,4-5H2,1-3H3/t6-,7+,8?/m0/s1
InChIKeyJJNQDDFYTOIMLY-KJFJCRTCSA-N
XLogP0.59
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R,6R)-4,6-dimethoxyoxan-3-ol
CID 131103746
(3S,4S,6R)-4-amino-6-methoxyoxan-3-ol
CID 55289944
(3S,6S)-6-methoxyoxan-3-ol
CID 22859546
2,5-dimethoxy-1,4-dioxane
CID 12500492
2-(5-methoxyoxolan-3-yl)acetaldehyde
CID 130035371
(1S,4S,5S)-5-dimethoxyphosphorylbicyclo[2.2.1]hept-2-ene
CID 23418938
(1R,6R)-4-methoxy-3-oxa-7-azabicyclo[4.1.0]heptane
CID 55300793
(6-methoxy-4-sulfanyloxan-3-yl) carbamate
CID 85099829
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(2S,3R,5S)-2,5-dimethoxyoxolan-3-ol
CID 99988447
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol?
The IUPAC name of (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol (CID 14887752) is (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol.
What is the SMILES notation for (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol?
The canonical SMILES for (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol is COC1C[C@H](O)[C@H](P(=O)(OC)OC)CO1.
What is the InChIKey of (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol?
The InChIKey is JJNQDDFYTOIMLY-KJFJCRTCSA-N. The full InChI is InChI=1S/C8H17O6P/c1-11-8-4-6(9)7(5-14-8)15(10,12-2)13-3/h6-9H,4-5H2,1-3H3/t6-,7+,8?/m0/s1.
What are the key properties of (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol?
(4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol has a molecular weight of 240.19 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-dimethoxyphosphoryl-2-methoxyoxan-4-ol is sourced from PubChem (CID 14887752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).