(2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid

C7H12O5 — CID 154814366

IUPAC(2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H](O)[C@H](O)CO1
InChIInChI=1S/C7H12O5/c1-7(6(10)11)2-4(8)5(9)3-12-7/h4-5,8-9H,2-3H2,1H3,(H,10,11)/t4-,5+,7+/m0/s1
InChIKeyNSNMFWKACGLDJE-HBPOCXIASA-N
MW176.17 g/mol
LogP-1.03
Rot. Bonds1

About (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid

(2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid (PubChem CID 154814366) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid
PubChem CID154814366
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name(2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H](O)[C@H](O)CO1
InChIInChI=1S/C7H12O5/c1-7(6(10)11)2-4(8)5(9)3-12-7/h4-5,8-9H,2-3H2,1H3,(H,10,11)/t4-,5+,7+/m0/s1
InChIKeyNSNMFWKACGLDJE-HBPOCXIASA-N
XLogP-1.03
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid?
The IUPAC name of (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid (CID 154814366) is (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid.
What is the SMILES notation for (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid?
The canonical SMILES for (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid is C[C@]1(C(=O)O)C[C@H](O)[C@H](O)CO1.
What is the InChIKey of (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid?
The InChIKey is NSNMFWKACGLDJE-HBPOCXIASA-N. The full InChI is InChI=1S/C7H12O5/c1-7(6(10)11)2-4(8)5(9)3-12-7/h4-5,8-9H,2-3H2,1H3,(H,10,11)/t4-,5+,7+/m0/s1.
What are the key properties of (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid?
(2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4,5-dihydroxy-2-methyloxane-2-carboxylic acid is sourced from PubChem (CID 154814366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).