(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol

C13H27O8P — CID 102046630

IUPAC(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESCCOP(=O)(OCC)[C@@H](O)[C@H]1CO[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C13H27O8P/c1-7-19-22(15,20-8-2)11(14)10-9-18-12(3,16-5)13(4,17-6)21-10/h10-11,14H,7-9H2,1-6H3/t10-,11-,12-,13-/m1/s1
InChIKeyMHXHSVVMROQXIO-FDYHWXHSSA-N
MW342.33 g/mol
LogP1.71
Rot. Bonds8

About (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol

(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol (PubChem CID 102046630) has the molecular formula C13H27O8P and a molecular weight of 342.33 g/mol. Its IUPAC name is (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
PubChem CID102046630
Molecular FormulaC13H27O8P
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESCCOP(=O)(OCC)[C@@H](O)[C@H]1CO[C@@](C)(OC)[C@](C)(OC)O1
InChIInChI=1S/C13H27O8P/c1-7-19-22(15,20-8-2)11(14)10-9-18-12(3,16-5)13(4,17-6)21-10/h10-11,14H,7-9H2,1-6H3/t10-,11-,12-,13-/m1/s1
InChIKeyMHXHSVVMROQXIO-FDYHWXHSSA-N
XLogP1.71
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol with MolForge

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Related Compounds

(1R)-1-[(2R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethane-1,2-diol
CID 135037817
(1R)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]prop-2-yn-1-ol
CID 11322167
(E,1R)-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-methylhex-2-en-1-ol
CID 102191668
(E,1S)-3-cyclopropyl-1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]but-2-en-1-ol
CID 139258198
[(2R,3S)-2,3-diacetyloxy-3-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]propyl] acetate
CID 101414894
(2S,3R)-3-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11515589
1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
CID 11287407
(2S,3S,5S)-5-(bromomethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane
CID 101122186
1-[ethoxy(methoxy)phosphoryl]prop-2-en-1-ol
CID 71365075
ethyl (3S)-2,2-difluoro-3-hydroxy-3-[(2S,4S)-2-methoxy-2-methyl-1,3-dioxolan-4-yl]propanoate
CID 162173427
1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-diethoxyphosphoryl-2-fluoroethanol
CID 155383256
N-[(1S,2S)-1-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]-1-hydroxy-2-(hydroxymethyl)but-3-en-2-yl]-4-methylbenzenesulfonamide
CID 101469122

Frequently Asked Questions

What is the IUPAC name of (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The IUPAC name of (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol (CID 102046630) is (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The canonical SMILES for (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol is CCOP(=O)(OCC)[C@@H](O)[C@H]1CO[C@@](C)(OC)[C@](C)(OC)O1.
What is the InChIKey of (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The InChIKey is MHXHSVVMROQXIO-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H27O8P/c1-7-19-22(15,20-8-2)11(14)10-9-18-12(3,16-5)13(4,17-6)21-10/h10-11,14H,7-9H2,1-6H3/t10-,11-,12-,13-/m1/s1.
What are the key properties of (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
(R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol has a molecular weight of 342.33 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-diethoxyphosphoryl-[(2R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 102046630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).