(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid

C7H12O6 — CID 15151925

IUPAC(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid
SMILESCC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C7H12O6/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3-5,8-9H,1-2H3,(H,10,11)/t4-,5-/m1/s1
InChIKeySSZYZSRPAKZEIB-RFZPGFLSSA-N
MW192.17 g/mol
LogP-1.26
Rot. Bonds4

About (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid

(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid (PubChem CID 15151925) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid
PubChem CID15151925
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid
SMILESCC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C7H12O6/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3-5,8-9H,1-2H3,(H,10,11)/t4-,5-/m1/s1
InChIKeySSZYZSRPAKZEIB-RFZPGFLSSA-N
XLogP-1.26
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid?
The IUPAC name of (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid (CID 15151925) is (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid is CC(C)OC(=O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid?
The InChIKey is SSZYZSRPAKZEIB-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H12O6/c1-3(2)13-7(12)5(9)4(8)6(10)11/h3-5,8-9H,1-2H3,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid?
(2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid has a molecular weight of 192.17 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-4-oxo-4-propan-2-yloxybutanoic acid is sourced from PubChem (CID 15151925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).