(2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane

C32H39F2O7P — CID 72712838

IUPAC(2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCCOP(=O)(OCC)C(F)(F)[C@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C32H39F2O7P/c1-4-39-42(35,40-5-2)32(33,34)31-30(38-23-27-19-13-8-14-20-27)29(37-22-26-17-11-7-12-18-26)28(24(3)41-31)36-21-25-15-9-6-10-16-25/h6-20,24,28-31H,4-5,21-23H2,1-3H3/t24-,28-,29+,30+,31-/m0/s1
InChIKeySGOOJGDCQCRCHG-RQKAHOPCSA-N
MW604.63 g/mol
LogP7.39
Rot. Bonds15

About (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane

(2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane (PubChem CID 72712838) has the molecular formula C32H39F2O7P and a molecular weight of 604.63 g/mol. Its IUPAC name is (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane
PubChem CID72712838
Molecular FormulaC32H39F2O7P
Molecular Weight604.63 g/mol
Exact Mass604.24
IUPAC Name(2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane
SMILESCCOP(=O)(OCC)C(F)(F)[C@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C32H39F2O7P/c1-4-39-42(35,40-5-2)32(33,34)31-30(38-23-27-19-13-8-14-20-27)29(37-22-26-17-11-7-12-18-26)28(24(3)41-31)36-21-25-15-9-6-10-16-25/h6-20,24,28-31H,4-5,21-23H2,1-3H3/t24-,28-,29+,30+,31-/m0/s1
InChIKeySGOOJGDCQCRCHG-RQKAHOPCSA-N
XLogP7.39
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.63
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-2-fluoro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 59270262
(2R,3R,4R,5S,6S)-2-chloro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 102142905
(2S,3R,4R,5S,6S)-2-chloro-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 11123271
(2S,3R,4R,5S,6S)-2-methyl-6-(methylsulfonylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 102092355
[(2R,4S,5S)-2-hydroxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 70841959
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
ethyl 2,2-difluoro-2-[(2R,3R,4S,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]acetate
CID 101138797
[2,2-dimethylpropanoyloxymethoxy-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 138111481
(2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
CID 10532677
[(3S,4R,5R,6S)-2-hydroxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl] acetate
CID 14505002
(2S,3R,4R,5S,6S)-2-ethylsulfanyl-3-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxane
CID 101480240
(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 102061085

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The IUPAC name of (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane (CID 72712838) is (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane.
What is the SMILES notation for (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The canonical SMILES for (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane is CCOP(=O)(OCC)C(F)(F)[C@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
The InChIKey is SGOOJGDCQCRCHG-RQKAHOPCSA-N. The full InChI is InChI=1S/C32H39F2O7P/c1-4-39-42(35,40-5-2)32(33,34)31-30(38-23-27-19-13-8-14-20-27)29(37-22-26-17-11-7-12-18-26)28(24(3)41-31)36-21-25-15-9-6-10-16-25/h6-20,24,28-31H,4-5,21-23H2,1-3H3/t24-,28-,29+,30+,31-/m0/s1.
What are the key properties of (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane?
(2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane has a molecular weight of 604.63 g/mol, XLogP of 7.39, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S,6S)-2-[diethoxyphosphoryl(difluoro)methyl]-6-methyl-3,4,5-tris(phenylmethoxy)oxane is sourced from PubChem (CID 72712838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).