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

C7H12O7 — CID 22942191

IUPAC(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid
SMILESC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@]1(O)C(=O)O
InChIInChI=1S/C7H12O7/c1-2-7(13,6(11)12)4(9)3(8)5(10)14-2/h2-5,8-10,13H,1H3,(H,11,12)/t2-,3-,4-,5-,7-/m1/s1
InChIKeyNNAQDTRIIHSZMO-MZYYUKOESA-N
MW208.17 g/mol
LogP-2.74
Rot. Bonds1

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

(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid (PubChem CID 22942191) has the molecular formula C7H12O7 and a molecular weight of 208.17 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid
PubChem CID22942191
Molecular FormulaC7H12O7
Molecular Weight208.17 g/mol
Exact Mass208.06
IUPAC Name(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid
SMILESC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@]1(O)C(=O)O
InChIInChI=1S/C7H12O7/c1-2-7(13,6(11)12)4(9)3(8)5(10)14-2/h2-5,8-10,13H,1H3,(H,11,12)/t2-,3-,4-,5-,7-/m1/s1
InChIKeyNNAQDTRIIHSZMO-MZYYUKOESA-N
XLogP-2.74
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-2.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid?
The IUPAC name of (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid (CID 22942191) is (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid.
What is the SMILES notation for (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid?
The canonical SMILES for (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid is C[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@]1(O)C(=O)O.
What is the InChIKey of (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid?
The InChIKey is NNAQDTRIIHSZMO-MZYYUKOESA-N. The full InChI is InChI=1S/C7H12O7/c1-2-7(13,6(11)12)4(9)3(8)5(10)14-2/h2-5,8-10,13H,1H3,(H,11,12)/t2-,3-,4-,5-,7-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid?
(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid has a molecular weight of 208.17 g/mol, XLogP of -2.74, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxy-2-methyloxane-3-carboxylic acid is sourced from PubChem (CID 22942191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).