(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine

C13H29NO7P2 — CID 134998390

IUPAC(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine
SMILESCCOP(=O)(C[C@H]1C[C@H](P(=O)(OCC)OCC)N(C)O1)OCC
InChIInChI=1S/C13H29NO7P2/c1-6-17-22(15,18-7-2)11-12-10-13(14(5)21-12)23(16,19-8-3)20-9-4/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyYGGPGPOUIYIRPZ-OLZOCXBDSA-N
MW373.32 g/mol
LogP3.48
Rot. Bonds11

About (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine

(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine (PubChem CID 134998390) has the molecular formula C13H29NO7P2 and a molecular weight of 373.32 g/mol. Its IUPAC name is (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine
PubChem CID134998390
Molecular FormulaC13H29NO7P2
Molecular Weight373.32 g/mol
Exact Mass373.14
IUPAC Name(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine
SMILESCCOP(=O)(C[C@H]1C[C@H](P(=O)(OCC)OCC)N(C)O1)OCC
InChIInChI=1S/C13H29NO7P2/c1-6-17-22(15,18-7-2)11-12-10-13(14(5)21-12)23(16,19-8-3)20-9-4/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1
InChIKeyYGGPGPOUIYIRPZ-OLZOCXBDSA-N
XLogP3.48
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 53.48
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,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol
CID 135059999
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(4-methylphenyl)-1,2-oxazolidine
CID 72946419
(2S,5S)-2,5-bis(diethoxyphosphorylmethyl)oxolane
CID 145422347
(3S,5R)-5-(2-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine
CID 72946058
(3S,5R)-3-diethoxyphosphoryl-5-(2,4-dimethoxyphenyl)-2-methyl-1,2-oxazolidine
CID 72946420
(3S,5R)-3-diethoxyphosphoryl-2-methyl-5-(2-nitrophenyl)-1,2-oxazolidine
CID 72946242
(3R,5S)-3-diethoxyphosphoryl-N-(4-fluorophenyl)-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71525228
(3R,5R)-N-(4-chlorophenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71524675
(3R,5R)-N-(2-acetylphenyl)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidine-5-carboxamide
CID 71524733
(3S,5R)-3-diethoxyphosphoryl-2-methyl-N-(3-methylphenyl)-1,2-oxazolidine-5-carboxamide
CID 71718927
CID 101403900
CID 101403900

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine?
The IUPAC name of (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine (CID 134998390) is (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine.
What is the SMILES notation for (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine?
The canonical SMILES for (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine is CCOP(=O)(C[C@H]1C[C@H](P(=O)(OCC)OCC)N(C)O1)OCC.
What is the InChIKey of (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine?
The InChIKey is YGGPGPOUIYIRPZ-OLZOCXBDSA-N. The full InChI is InChI=1S/C13H29NO7P2/c1-6-17-22(15,18-7-2)11-12-10-13(14(5)21-12)23(16,19-8-3)20-9-4/h12-13H,6-11H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine?
(3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine has a molecular weight of 373.32 g/mol, XLogP of 3.48, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-diethoxyphosphoryl-5-(diethoxyphosphorylmethyl)-2-methyl-1,2-oxazolidine is sourced from PubChem (CID 134998390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).