(2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

C30H37O8P — CID 134833904

IUPAC(2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCO[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1P(=O)(OC)OC
InChIInChI=1S/C30H37O8P/c1-32-30-29(39(31,33-2)34-3)28(37-21-25-17-11-6-12-18-25)27(36-20-24-15-9-5-10-16-24)26(38-30)22-35-19-23-13-7-4-8-14-23/h4-18,26-30H,19-22H2,1-3H3/t26?,27-,28?,29?,30-/m1/s1
InChIKeyZDRZHPWSEFYVHU-ZNKRKBABSA-N
MW556.59 g/mol
LogP5.60
Rot. Bonds14

About (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

(2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (PubChem CID 134833904) has the molecular formula C30H37O8P and a molecular weight of 556.59 g/mol. Its IUPAC name is (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
PubChem CID134833904
Molecular FormulaC30H37O8P
Molecular Weight556.59 g/mol
Exact Mass556.22
IUPAC Name(2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
SMILESCO[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1P(=O)(OC)OC
InChIInChI=1S/C30H37O8P/c1-32-30-29(39(31,33-2)34-3)28(37-21-25-17-11-6-12-18-25)27(36-20-24-15-9-5-10-16-24)26(38-30)22-35-19-23-13-7-4-8-14-23/h4-18,26-30H,19-22H2,1-3H3/t26?,27-,28?,29?,30-/m1/s1
InChIKeyZDRZHPWSEFYVHU-ZNKRKBABSA-N
XLogP5.60
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.59
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane (CID 134833904) is (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is CO[C@@H]1OC(COCc2ccccc2)[C@@H](OCc2ccccc2)C(OCc2ccccc2)C1P(=O)(OC)OC.
What is the InChIKey of (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
The InChIKey is ZDRZHPWSEFYVHU-ZNKRKBABSA-N. The full InChI is InChI=1S/C30H37O8P/c1-32-30-29(39(31,33-2)34-3)28(37-21-25-17-11-6-12-18-25)27(36-20-24-15-9-5-10-16-24)26(38-30)22-35-19-23-13-7-4-8-14-23/h4-18,26-30H,19-22H2,1-3H3/t26?,27-,28?,29?,30-/m1/s1.
What are the key properties of (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane?
(2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane has a molecular weight of 556.59 g/mol, XLogP of 5.60, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-3-dimethoxyphosphoryl-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 134833904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).