(2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one

C8H14O6 — CID 54149144

IUPAC(2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one
SMILESCC1C(O)[C@@H](O)[C@@]1(O)C(=O)[C@@H](O)CO
InChIInChI=1S/C8H14O6/c1-3-5(11)7(13)8(3,14)6(12)4(10)2-9/h3-5,7,9-11,13-14H,2H2,1H3/t3?,4-,5?,7+,8-/m0/s1
InChIKeyOGMYJYZONNZKOB-WJJIEFRJSA-N
MW206.19 g/mol
LogP-2.99
Rot. Bonds3

About (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one

(2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one (PubChem CID 54149144) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one.

Molecular Properties

Compound Name(2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one
PubChem CID54149144
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name(2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one
SMILESCC1C(O)[C@@H](O)[C@@]1(O)C(=O)[C@@H](O)CO
InChIInChI=1S/C8H14O6/c1-3-5(11)7(13)8(3,14)6(12)4(10)2-9/h3-5,7,9-11,13-14H,2H2,1H3/t3?,4-,5?,7+,8-/m0/s1
InChIKeyOGMYJYZONNZKOB-WJJIEFRJSA-N
XLogP-2.99
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-2.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one?
The IUPAC name of (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one (CID 54149144) is (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one.
What is the SMILES notation for (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one?
The canonical SMILES for (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one is CC1C(O)[C@@H](O)[C@@]1(O)C(=O)[C@@H](O)CO.
What is the InChIKey of (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one?
The InChIKey is OGMYJYZONNZKOB-WJJIEFRJSA-N. The full InChI is InChI=1S/C8H14O6/c1-3-5(11)7(13)8(3,14)6(12)4(10)2-9/h3-5,7,9-11,13-14H,2H2,1H3/t3?,4-,5?,7+,8-/m0/s1.
What are the key properties of (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one?
(2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one has a molecular weight of 206.19 g/mol, XLogP of -2.99, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dihydroxy-1-[(1R,2R)-1,2,3-trihydroxy-4-methylcyclobutyl]propan-1-one is sourced from PubChem (CID 54149144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).