(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid

C7H12O6 — CID 59953702

IUPAC(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
SMILESC[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O6/c1-2-3(8)4(9)5(10)6(13-2)7(11)12/h2-6,8-10H,1H3,(H,11,12)/t2-,3-,4+,5-,6-/m0/s1
InChIKeySFNQYNDFYOQLIZ-QYESYBIKSA-N
MW192.17 g/mol
LogP-2.06
Rot. Bonds1

About (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid

(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid (PubChem CID 59953702) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
PubChem CID59953702
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
SMILESC[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O6/c1-2-3(8)4(9)5(10)6(13-2)7(11)12/h2-6,8-10H,1H3,(H,11,12)/t2-,3-,4+,5-,6-/m0/s1
InChIKeySFNQYNDFYOQLIZ-QYESYBIKSA-N
XLogP-2.06
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-2.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid?
The IUPAC name of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid (CID 59953702) is (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid is C[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid?
The InChIKey is SFNQYNDFYOQLIZ-QYESYBIKSA-N. The full InChI is InChI=1S/C7H12O6/c1-2-3(8)4(9)5(10)6(13-2)7(11)12/h2-6,8-10H,1H3,(H,11,12)/t2-,3-,4+,5-,6-/m0/s1.
What are the key properties of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid?
(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of -2.06, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid is sourced from PubChem (CID 59953702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).