(2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane

C39H46FO8P — CID 10532677

IUPAC(2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
SMILESCCOP(=O)(OCC)[C@H](F)C[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C39H46FO8P/c1-3-46-49(41,47-4-2)35(40)25-34-36(42-26-30-17-9-5-10-18-30)37(43-27-31-19-11-6-12-20-31)38(44-28-32-21-13-7-14-22-32)39(48-34)45-29-33-23-15-8-16-24-33/h5-24,34-39H,3-4,25-29H2,1-2H3/t34-,35+,36-,37+,38-,39-/m1/s1
InChIKeyIOMYRTWWTMRTTJ-MNOZLBCTSA-N
MW692.76 g/mol
LogP8.64
Rot. Bonds19

About (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane

(2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane (PubChem CID 10532677) has the molecular formula C39H46FO8P and a molecular weight of 692.76 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
PubChem CID10532677
Molecular FormulaC39H46FO8P
Molecular Weight692.76 g/mol
Exact Mass692.29
IUPAC Name(2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane
SMILESCCOP(=O)(OCC)[C@H](F)C[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C39H46FO8P/c1-3-46-49(41,47-4-2)35(40)25-34-36(42-26-30-17-9-5-10-18-30)37(43-27-31-19-11-6-12-20-31)38(44-28-32-21-13-7-14-22-32)39(48-34)45-29-33-23-15-8-16-24-33/h5-24,34-39H,3-4,25-29H2,1-2H3/t34-,35+,36-,37+,38-,39-/m1/s1
InChIKeyIOMYRTWWTMRTTJ-MNOZLBCTSA-N
XLogP8.64
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.76
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-1-diethoxyphosphoryl-2-[(2R,3R,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethyl] 4-bromobenzoate
CID 10795731
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
[(2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 91699912
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
ethyl 2-[[(2R,3R,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methoxy]acetate
CID 142688383
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
3-[(2S,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxypropanal
CID 171563753
(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
CID 56606677
[(2R,3R,4S,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl [(2S,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl] hydrogen phosphate
CID 101040386
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane?
The IUPAC name of (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane (CID 10532677) is (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane is CCOP(=O)(OCC)[C@H](F)C[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane?
The InChIKey is IOMYRTWWTMRTTJ-MNOZLBCTSA-N. The full InChI is InChI=1S/C39H46FO8P/c1-3-46-49(41,47-4-2)35(40)25-34-36(42-26-30-17-9-5-10-18-30)37(43-27-31-19-11-6-12-20-31)38(44-28-32-21-13-7-14-22-32)39(48-34)45-29-33-23-15-8-16-24-33/h5-24,34-39H,3-4,25-29H2,1-2H3/t34-,35+,36-,37+,38-,39-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane?
(2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane has a molecular weight of 692.76 g/mol, XLogP of 8.64, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-[(2S)-2-diethoxyphosphoryl-2-fluoroethyl]-3,4,5,6-tetrakis(phenylmethoxy)oxane is sourced from PubChem (CID 10532677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).