(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid

C8H14O5 — CID 153382641

IUPAC(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
SMILESC[C@@H]1C(O)[C@H](O)C(C(=O)O)O[C@@H]1C
InChIInChI=1S/C8H14O5/c1-3-4(2)13-7(8(11)12)6(10)5(3)9/h3-7,9-10H,1-2H3,(H,11,12)/t3-,4+,5?,6-,7?/m0/s1
InChIKeyCVXZHBNHNKRLOU-JNKYJECZSA-N
MW190.19 g/mol
LogP-0.78
Rot. Bonds1

About (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid

(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid (PubChem CID 153382641) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
PubChem CID153382641
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Name(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
SMILESC[C@@H]1C(O)[C@H](O)C(C(=O)O)O[C@@H]1C
InChIInChI=1S/C8H14O5/c1-3-4(2)13-7(8(11)12)6(10)5(3)9/h3-7,9-10H,1-2H3,(H,11,12)/t3-,4+,5?,6-,7?/m0/s1
InChIKeyCVXZHBNHNKRLOU-JNKYJECZSA-N
XLogP-0.78
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
The IUPAC name of (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid (CID 153382641) is (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid.
What is the SMILES notation for (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
The canonical SMILES for (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid is C[C@@H]1C(O)[C@H](O)C(C(=O)O)O[C@@H]1C.
What is the InChIKey of (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
The InChIKey is CVXZHBNHNKRLOU-JNKYJECZSA-N. The full InChI is InChI=1S/C8H14O5/c1-3-4(2)13-7(8(11)12)6(10)5(3)9/h3-7,9-10H,1-2H3,(H,11,12)/t3-,4+,5?,6-,7?/m0/s1.
What are the key properties of (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid?
(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid has a molecular weight of 190.19 g/mol, XLogP of -0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid is sourced from PubChem (CID 153382641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).