(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one

C6H10O5 — CID 102312082

IUPAC(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one
SMILESC[C@]1(O)OC[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C6H10O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-4,7-8,10H,2H2,1H3/t3-,4-,6+/m1/s1
InChIKeyJIDIEBFSSKEGHB-KODRXGBYSA-N
MW162.14 g/mol
LogP-1.98
Rot. Bonds

About (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one

(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one (PubChem CID 102312082) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one.

Molecular Properties

Compound Name(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one
PubChem CID102312082
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one
SMILESC[C@]1(O)OC[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C6H10O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-4,7-8,10H,2H2,1H3/t3-,4-,6+/m1/s1
InChIKeyJIDIEBFSSKEGHB-KODRXGBYSA-N
XLogP-1.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one?
The IUPAC name of (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one (CID 102312082) is (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one.
What is the SMILES notation for (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one?
The canonical SMILES for (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one is C[C@]1(O)OC[C@@H](O)[C@@H](O)C1=O.
What is the InChIKey of (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one?
The InChIKey is JIDIEBFSSKEGHB-KODRXGBYSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(10)5(9)4(8)3(7)2-11-6/h3-4,7-8,10H,2H2,1H3/t3-,4-,6+/m1/s1.
What are the key properties of (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one?
(2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one has a molecular weight of 162.14 g/mol, XLogP of -1.98, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-2,4,5-trihydroxy-2-methyloxan-3-one is sourced from PubChem (CID 102312082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).