[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol

C9H20NO5P — CID 135059999

IUPAC[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol
SMILESCCOP(=O)(OCC)[C@H]1C[C@@H](CO)ON1C
InChIInChI=1S/C9H20NO5P/c1-4-13-16(12,14-5-2)9-6-8(7-11)15-10(9)3/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyBYZZBAKEOMSLGS-IUCAKERBSA-N
MW253.23 g/mol
LogP1.21
Rot. Bonds6

About [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol

[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol (PubChem CID 135059999) has the molecular formula C9H20NO5P and a molecular weight of 253.23 g/mol. Its IUPAC name is [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol
PubChem CID135059999
Molecular FormulaC9H20NO5P
Molecular Weight253.23 g/mol
Exact Mass253.11
IUPAC Name[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol
SMILESCCOP(=O)(OCC)[C@H]1C[C@@H](CO)ON1C
InChIInChI=1S/C9H20NO5P/c1-4-13-16(12,14-5-2)9-6-8(7-11)15-10(9)3/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1
InChIKeyBYZZBAKEOMSLGS-IUCAKERBSA-N
XLogP1.21
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol?
The IUPAC name of [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol (CID 135059999) is [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol.
What is the SMILES notation for [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol?
The canonical SMILES for [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol is CCOP(=O)(OCC)[C@H]1C[C@@H](CO)ON1C.
What is the InChIKey of [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol?
The InChIKey is BYZZBAKEOMSLGS-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20NO5P/c1-4-13-16(12,14-5-2)9-6-8(7-11)15-10(9)3/h8-9,11H,4-7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol?
[(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol has a molecular weight of 253.23 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-diethoxyphosphoryl-2-methyl-1,2-oxazolidin-5-yl]methanol is sourced from PubChem (CID 135059999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).