[(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid

C27H30FO7P — CID 102459903

IUPAC[(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@H]1O[C@H](COCc2ccccc2)[C@H](F)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30FO7P/c28-24-23(19-32-16-20-10-4-1-5-11-20)35-27(36(29,30)31)26(34-18-22-14-8-3-9-15-22)25(24)33-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2,(H2,29,30,31)/t23-,24+,25+,26-,27-/m1/s1
InChIKeyDKVVTSRPVLYTEX-LXSUACKSSA-N
MW516.50 g/mol
LogP4.61
Rot. Bonds11

About [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid

[(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid (PubChem CID 102459903) has the molecular formula C27H30FO7P and a molecular weight of 516.50 g/mol. Its IUPAC name is [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid.

Molecular Properties

Compound Name[(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid
PubChem CID102459903
Molecular FormulaC27H30FO7P
Molecular Weight516.50 g/mol
Exact Mass516.17
IUPAC Name[(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid
SMILESO=P(O)(O)[C@H]1O[C@H](COCc2ccccc2)[C@H](F)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C27H30FO7P/c28-24-23(19-32-16-20-10-4-1-5-11-20)35-27(36(29,30)31)26(34-18-22-14-8-3-9-15-22)25(24)33-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2,(H2,29,30,31)/t23-,24+,25+,26-,27-/m1/s1
InChIKeyDKVVTSRPVLYTEX-LXSUACKSSA-N
XLogP4.61
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.50
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 138518451
(2R,3R,4R,5R,6R)-5-fluoro-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 59651545
(3S,6S)-3-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-phenylsulfanyloxane
CID 163831014
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2R,3S,4R,5R,6S)-3-fluoro-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enoxyoxane
CID 102459892
(2S,5R)-2-fluoro-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 149274731
[(2S,3R,4R,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methylphosphonic acid
CID 90358087
[(2R,3S,4S,5R,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 70185856
[(3R,4S,5S,6R)-3-fluoro-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate
CID 102459896
N-[5-fluoro-2-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 72762659
(3S,4R,5R)-3-fluoro-2-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 130316791
(2R,3R,4R,5S,6R)-2-fluoro-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 90920188

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid?
The IUPAC name of [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid (CID 102459903) is [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid.
What is the SMILES notation for [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid?
The canonical SMILES for [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid is O=P(O)(O)[C@H]1O[C@H](COCc2ccccc2)[C@H](F)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid?
The InChIKey is DKVVTSRPVLYTEX-LXSUACKSSA-N. The full InChI is InChI=1S/C27H30FO7P/c28-24-23(19-32-16-20-10-4-1-5-11-20)35-27(36(29,30)31)26(34-18-22-14-8-3-9-15-22)25(24)33-17-21-12-6-2-7-13-21/h1-15,23-27H,16-19H2,(H2,29,30,31)/t23-,24+,25+,26-,27-/m1/s1.
What are the key properties of [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid?
[(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid has a molecular weight of 516.50 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5S,6R)-5-fluoro-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]phosphonic acid is sourced from PubChem (CID 102459903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).