5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C18H25O8P — CID 4868241

IUPAC5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCOP(=O)(OC)C1(C2OC3OC(C)(C)OC3C2OCc2ccccc2)CO1
InChIInChI=1S/C18H25O8P/c1-17(2)25-14-13(22-10-12-8-6-5-7-9-12)15(24-16(14)26-17)18(11-23-18)27(19,20-3)21-4/h5-9,13-16H,10-11H2,1-4H3
InChIKeyYLMHOODOAZKQDW-UHFFFAOYSA-N
MW400.36 g/mol
LogP2.66
Rot. Bonds7

About 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 4868241) has the molecular formula C18H25O8P and a molecular weight of 400.36 g/mol. Its IUPAC name is 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID4868241
Molecular FormulaC18H25O8P
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCOP(=O)(OC)C1(C2OC3OC(C)(C)OC3C2OCc2ccccc2)CO1
InChIInChI=1S/C18H25O8P/c1-17(2)25-14-13(22-10-12-8-6-5-7-9-12)15(24-16(14)26-17)18(11-23-18)27(19,20-3)21-4/h5-9,13-16H,10-11H2,1-4H3
InChIKeyYLMHOODOAZKQDW-UHFFFAOYSA-N
XLogP2.66
TPSA84.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole 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

(3aS,5S,6S,6aS)-6-methoxy-5-[2-[methoxy(phenyl)phosphoryl]oxiran-2-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14754694
(3aR,5R,6aS)-5-cyclopropyl-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 162493069
(3aR,6S,7S)-2,2,5-trimethyl-6,7-bis(phenylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
CID 70841952
(3aS,6S,7aS)-2,2,5-trimethyl-6,7-bis(phenylmethoxy)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran
CID 59491267
(3aR,5S,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydro(2,3,4,5-13C4)furano[2,3-d](4,5-13C2)[1,3]dioxole-5-carbaldehyde
CID 11022391
(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(2R)-(313C)oxiran-2-yl]-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11220088
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 45048567
(3aR,5S,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbonyl chloride
CID 15221190
(1S,2S,4R,5R,6S,7R)-5-methoxy-9,9-dimethyl-6-phenylmethoxy-3,8,10-trioxatricyclo[5.3.0.02,4]decane
CID 11023166
methyl (3aR,6S,7R)-6-hydroxy-2,2-dimethyl-7-phenylmethoxy-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylate
CID 71166517
(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbonitrile
CID 11608796
(3aS,5R,6S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 59426783

Frequently Asked Questions

What is the IUPAC name of 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 4868241) is 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is COP(=O)(OC)C1(C2OC3OC(C)(C)OC3C2OCc2ccccc2)CO1.
What is the InChIKey of 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is YLMHOODOAZKQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25O8P/c1-17(2)25-14-13(22-10-12-8-6-5-7-9-12)15(24-16(14)26-17)18(11-23-18)27(19,20-3)21-4/h5-9,13-16H,10-11H2,1-4H3.
What are the key properties of 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 400.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-dimethoxyphosphoryloxiran-2-yl)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 4868241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).