(2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid

C8H8O10 — CID 160968845

IUPAC(2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid
SMILESO=COC1OC1C(=O)O.O=CO[C@H]1O[C@@H]1C(=O)O
InChIInChI=1S/2C4H4O5/c2*5-1-8-4-2(9-4)3(6)7/h2*1-2,4H,(H,6,7)/t2-,4+;/m1./s1
InChIKeySXZKTWSLYHQZAC-ZVYNFJQASA-N
MW264.14 g/mol
LogP-2.06
Rot. Bonds6

About (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid

(2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid (PubChem CID 160968845) has the molecular formula C8H8O10 and a molecular weight of 264.14 g/mol. Its IUPAC name is (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid
PubChem CID160968845
Molecular FormulaC8H8O10
Molecular Weight264.14 g/mol
Exact Mass264.01
IUPAC Name(2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid
SMILESO=COC1OC1C(=O)O.O=CO[C@H]1O[C@@H]1C(=O)O
InChIInChI=1S/2C4H4O5/c2*5-1-8-4-2(9-4)3(6)7/h2*1-2,4H,(H,6,7)/t2-,4+;/m1./s1
InChIKeySXZKTWSLYHQZAC-ZVYNFJQASA-N
XLogP-2.06
TPSA152.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(2R,3R)-3-methoxyoxirane-2-carboxylic acid
CID 18643480
3-Formyloxyoxirane-2-carboxylic acid
CID 58049526
3-(Hydroxymethoxy)oxirane-2-carboxylic acid
CID 59108271
Ethane-1,2-diol;bis(oxirane-2-carboxylic acid)
CID 87883569
(2R,3R)-3-formyloxyoxirane-2-carboxylic acid
CID 89578875
(2S,3R)-3-formyloxyoxirane-2-carboxylic acid
CID 141639358

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid (CID 160968845) is (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid is O=COC1OC1C(=O)O.O=CO[C@H]1O[C@@H]1C(=O)O.
What is the InChIKey of (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid?
The InChIKey is SXZKTWSLYHQZAC-ZVYNFJQASA-N. The full InChI is InChI=1S/2C4H4O5/c2*5-1-8-4-2(9-4)3(6)7/h2*1-2,4H,(H,6,7)/t2-,4+;/m1./s1.
What are the key properties of (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid?
(2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid has a molecular weight of 264.14 g/mol, XLogP of -2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-formyloxyoxirane-2-carboxylic acid;3-formyloxyoxirane-2-carboxylic acid is sourced from PubChem (CID 160968845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).