2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

C18H27O8P — CID 123135743

IUPAC2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCOP(=O)(CC(=O)[C@@H]1OC(C)(C)OC1[C@H](O)COCc1ccccc1)OC
InChIInChI=1S/C18H27O8P/c1-18(2)25-16(14(19)11-24-10-13-8-6-5-7-9-13)17(26-18)15(20)12-27(21,22-3)23-4/h5-9,14,16-17,19H,10-12H2,1-4H3/t14-,16?,17+/m1/s1
InChIKeyZCJBSRLDSKBYPZ-AQYZNVCMSA-N
MW402.38 g/mol
LogP2.14
Rot. Bonds10

About 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone

2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (PubChem CID 123135743) has the molecular formula C18H27O8P and a molecular weight of 402.38 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
PubChem CID123135743
Molecular FormulaC18H27O8P
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
SMILESCOP(=O)(CC(=O)[C@@H]1OC(C)(C)OC1[C@H](O)COCc1ccccc1)OC
InChIInChI=1S/C18H27O8P/c1-18(2)25-16(14(19)11-24-10-13-8-6-5-7-9-13)17(26-18)15(20)12-27(21,22-3)23-4/h5-9,14,16-17,19H,10-12H2,1-4H3/t14-,16?,17+/m1/s1
InChIKeyZCJBSRLDSKBYPZ-AQYZNVCMSA-N
XLogP2.14
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-phenylmethoxyethanol
CID 100964347
ethyl (4S,5S)-5-[(1R)-1-fluoro-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 10806043
N-[(1R)-1-[(4R,5S)-5-[(1R)-1-dimethoxyphosphoryl-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethoxyethyl]acetamide
CID 102314767
(4R,5S)-5-[(1R)-1-hydroxy-6-phenylmethoxyhexyl]-N,N,2,2-tetramethyl-1,3-dioxolane-4-carboxamide
CID 51041885
(1S)-1-[(3aR,5R,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 101047701
(3R)-3-[(4S)-2,2-dimethyl-5-phenylsulfanyl-1,3-dioxolan-4-yl]-4-phenylmethoxybutanoic acid
CID 11373029
1-[(2R,3R)-3-[(1R)-1,2-bis(phenylmethoxy)ethyl]-6,6-dimethyl-1,4-dioxan-2-yl]-2-phenylmethoxyethanol
CID 102600615
(3R,4S)-1-dimethoxyphosphoryl-4-(1,3-dioxolan-2-ylmethyl)-3-methyl-5-phenylmethoxypentan-2-one
CID 56956535
1-[(4R)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]ethanone
CID 155933007
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyethane-1,2-diol
CID 54327458
1-[(3aR,5S,6aS)-6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-phenylmethoxyethanol
CID 71166969
(4S,5S)-N-benzyl-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carboxamide
CID 101096885

Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The IUPAC name of 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone (CID 123135743) is 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The canonical SMILES for 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is COP(=O)(CC(=O)[C@@H]1OC(C)(C)OC1[C@H](O)COCc1ccccc1)OC.
What is the InChIKey of 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
The InChIKey is ZCJBSRLDSKBYPZ-AQYZNVCMSA-N. The full InChI is InChI=1S/C18H27O8P/c1-18(2)25-16(14(19)11-24-10-13-8-6-5-7-9-13)17(26-18)15(20)12-27(21,22-3)23-4/h5-9,14,16-17,19H,10-12H2,1-4H3/t14-,16?,17+/m1/s1.
What are the key properties of 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone?
2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone has a molecular weight of 402.38 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-[(4R)-5-[(1R)-1-hydroxy-2-phenylmethoxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone is sourced from PubChem (CID 123135743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).