(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one

C14H28O8P2 — CID 15531256

IUPAC(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one
SMILESCCOP(=O)(OCC)[C@@H]1[C@@H](P(=O)(OCC)OCC)C(=O)OC1(C)C
InChIInChI=1S/C14H28O8P2/c1-7-18-23(16,19-8-2)11-12(14(5,6)22-13(11)15)24(17,20-9-3)21-10-4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyOLLRYIFNQKULNS-VXGBXAGGSA-N
MW386.32 g/mol
LogP3.59
Rot. Bonds10

About (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one

(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one (PubChem CID 15531256) has the molecular formula C14H28O8P2 and a molecular weight of 386.32 g/mol. Its IUPAC name is (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one
PubChem CID15531256
Molecular FormulaC14H28O8P2
Molecular Weight386.32 g/mol
Exact Mass386.13
IUPAC Name(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one
SMILESCCOP(=O)(OCC)[C@@H]1[C@@H](P(=O)(OCC)OCC)C(=O)OC1(C)C
InChIInChI=1S/C14H28O8P2/c1-7-18-23(16,19-8-2)11-12(14(5,6)22-13(11)15)24(17,20-9-3)21-10-4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1
InChIKeyOLLRYIFNQKULNS-VXGBXAGGSA-N
XLogP3.59
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-diethoxyphosphoryl-5,5-dimethyl-4-phenyloxolan-2-one
CID 24766722
(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
(1S,5S)-1-diethoxyphosphoryl-6,6-dimethyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 132518276
3-diethoxyphosphoryl-2-oxo-3a,6,7,7a-tetrahydro-3H-1-benzofuran-5-olate
CID 134857179
2-acetyl-1-diethoxyphosphoryl-1,2-dihydrobenzo[f]chromen-3-one
CID 15418526
(4R)-4-(iodomethyl)-3,3,5,5-tetramethyloxolan-2-one
CID 102355829
[(4R,5R)-5-diethoxyphosphoryl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
CID 102120992
2-diethoxyphosphoryl-2,3,3-trimethyloxirane
CID 24975893
(2S,3S)-2-diethoxyphosphoryl-3-(2-methylphenyl)oxirane
CID 101084245
4-diethoxyphosphoryl-2,5,5-trimethyl-1,3-oxazinane
CID 10491916
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767
4-chloro-3-diethoxyphosphoryl-5-(hydroxymethyl)-5-methylfuran-2-one
CID 134996334

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one?
The IUPAC name of (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one (CID 15531256) is (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one.
What is the SMILES notation for (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one?
The canonical SMILES for (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one is CCOP(=O)(OCC)[C@@H]1[C@@H](P(=O)(OCC)OCC)C(=O)OC1(C)C.
What is the InChIKey of (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one?
The InChIKey is OLLRYIFNQKULNS-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H28O8P2/c1-7-18-23(16,19-8-2)11-12(14(5,6)22-13(11)15)24(17,20-9-3)21-10-4/h11-12H,7-10H2,1-6H3/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one?
(3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one has a molecular weight of 386.32 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-bis(diethoxyphosphoryl)-5,5-dimethyloxolan-2-one is sourced from PubChem (CID 15531256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).