(4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide

C10H22NO6PS — CID 166437541

IUPAC(4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide
SMILESCCOP(=O)(OCC)[C@H]1OS(=O)(=O)N[C@H]1CC(C)C
InChIInChI=1S/C10H22NO6PS/c1-5-15-18(12,16-6-2)10-9(7-8(3)4)11-19(13,14)17-10/h8-11H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeySTYGLLWDNFZQAY-VHSXEESVSA-N
MW315.33 g/mol
LogP1.86
Rot. Bonds7

About (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide

(4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide (PubChem CID 166437541) has the molecular formula C10H22NO6PS and a molecular weight of 315.33 g/mol. Its IUPAC name is (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide.

Molecular Properties

Compound Name(4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide
PubChem CID166437541
Molecular FormulaC10H22NO6PS
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name(4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide
SMILESCCOP(=O)(OCC)[C@H]1OS(=O)(=O)N[C@H]1CC(C)C
InChIInChI=1S/C10H22NO6PS/c1-5-15-18(12,16-6-2)10-9(7-8(3)4)11-19(13,14)17-10/h8-11H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeySTYGLLWDNFZQAY-VHSXEESVSA-N
XLogP1.86
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-diethoxyphosphoryl-3-methyloxirane
CID 163038717
(2S,3S)-2-diethoxyphosphoryl-3-(2-methylphenyl)oxirane
CID 101084245
2-diethoxyphosphoryl-4-methylpentan-2-amine
CID 14742051
(2S,3S)-2-diethoxyphosphoryl-3-(3-methylphenyl)oxirane
CID 101084246
5-diethoxyphosphoryl-4-phenyl-5H-oxathiazole 2,2-dioxide
CID 122210329
(1S)-1-diethoxyphosphoryl-3-methylbutan-1-ol
CID 10944092
3-diethoxyphosphorylcyclobutan-1-amine
CID 10727016
2-[butan-2-yloxy-(diethoxyphosphorylamino)phosphoryl]oxybutane
CID 4054615
[diethoxyphosphoryl(trimethylsilyl)methyl]-trimethylsilane
CID 13199614
2-diethoxyphosphoryl-4-methyl-1-propan-2-ylcyclohexane
CID 10778844
1-diethoxyphosphoryl-1-fluoro-4-methylpentane
CID 10681487
cis-(1S,2R)-2-diethoxyphosphorylcyclopropane-1-carbaldehyde
CID 125475013

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide?
The IUPAC name of (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide (CID 166437541) is (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide.
What is the SMILES notation for (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide?
The canonical SMILES for (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide is CCOP(=O)(OCC)[C@H]1OS(=O)(=O)N[C@H]1CC(C)C.
What is the InChIKey of (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide?
The InChIKey is STYGLLWDNFZQAY-VHSXEESVSA-N. The full InChI is InChI=1S/C10H22NO6PS/c1-5-15-18(12,16-6-2)10-9(7-8(3)4)11-19(13,14)17-10/h8-11H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide?
(4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide has a molecular weight of 315.33 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-diethoxyphosphoryl-4-(2-methylpropyl)oxathiazolidine 2,2-dioxide is sourced from PubChem (CID 166437541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).