CID 131848895

C6H8KO5 — CID 131848895

IUPAC—
SMILESCCOC(=O)[C@H]1O[C@@H]1C(=O)O.[K]
InChIInChI=1S/C6H8O5.K/c1-2-10-6(9)4-3(11-4)5(7)8;/h3-4H,2H2,1H3,(H,7,8);/t3-,4-;/m0./s1
InChIKeyVSFHYKLSBXPIBA-MMALYQPHSA-N
MW199.22 g/mol
LogP-0.98
Rot. Bonds3

About CID 131848895

CID 131848895 (PubChem CID 131848895) has the molecular formula C6H8KO5 and a molecular weight of 199.22 g/mol.

Molecular Properties

Compound NameCID 131848895
PubChem CID131848895
Molecular FormulaC6H8KO5
Molecular Weight199.22 g/mol
Exact Mass199.00
IUPAC Name—
SMILESCCOC(=O)[C@H]1O[C@@H]1C(=O)O.[K]
InChIInChI=1S/C6H8O5.K/c1-2-10-6(9)4-3(11-4)5(7)8;/h3-4H,2H2,1H3,(H,7,8);/t3-,4-;/m0./s1
InChIKeyVSFHYKLSBXPIBA-MMALYQPHSA-N
XLogP-0.98
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

diethyl (2S,3S)-oxirane-2,3-dicarboxylate
CID 7021072
3-O-ethyl 2-O-(2-methylpropyl) (2R,3S)-oxirane-2,3-dicarboxylate
CID 10242413
diethyl (4S,5S)-2-propan-2-yl-1,3-dioxolane-4,5-dicarboxylate
CID 22852087
dipropyl oxirane-2,3-dicarboxylate
CID 58624990
(2S,3S)-3-butan-2-yloxycarbonyloxirane-2-carboxylic acid
CID 121267087
ethyl 3-(phenylcarbamoyl)oxirane-2-carboxylate
CID 13150800
diethyl (4R,5R)-2-(2-phenylethenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 54092539
diethyl (4S,5S)-1,3-dioxolane-4,5-dicarboxylate
CID 6941512
ethyl (4S,5S)-5-acetyl-2-ethoxy-1,3-dioxolane-4-carboxylate
CID 163982638
3-(7-methyloctoxycarbonyl)oxirane-2-carboxylic acid
CID 175426399
CID 131876272
CID 131876272
ethyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 59036373

Frequently Asked Questions

What is the IUPAC name of CID 131848895?
The IUPAC name of CID 131848895 (CID 131848895) is not available.
What is the SMILES notation for CID 131848895?
The canonical SMILES for CID 131848895 is CCOC(=O)[C@H]1O[C@@H]1C(=O)O.[K].
What is the InChIKey of CID 131848895?
The InChIKey is VSFHYKLSBXPIBA-MMALYQPHSA-N. The full InChI is InChI=1S/C6H8O5.K/c1-2-10-6(9)4-3(11-4)5(7)8;/h3-4H,2H2,1H3,(H,7,8);/t3-,4-;/m0./s1.
What are the key properties of CID 131848895?
CID 131848895 has a molecular weight of 199.22 g/mol, XLogP of -0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131848895 is sourced from PubChem (CID 131848895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).