(2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid

C14H24O10 — CID 121386516

IUPAC(2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid
SMILESCOC1[C@H](C(=O)O)O[C@H](O[C@H]2CC(C)O[C@@H](CO)C2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H24O10/c1-5-3-6(8(16)7(4-15)22-5)23-14-10(18)9(17)11(21-2)12(24-14)13(19)20/h5-12,14-18H,3-4H2,1-2H3,(H,19,20)/t5?,6-,7-,8?,9+,10-,11?,12+,14-/m0/s1
InChIKeyITCCFUVUIVMTEC-JLIDKKPJSA-N
MW352.34 g/mol
LogP-2.55
Rot. Bonds5

About (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid

(2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid (PubChem CID 121386516) has the molecular formula C14H24O10 and a molecular weight of 352.34 g/mol. Its IUPAC name is (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid
PubChem CID121386516
Molecular FormulaC14H24O10
Molecular Weight352.34 g/mol
Exact Mass352.14
IUPAC Name(2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid
SMILESCOC1[C@H](C(=O)O)O[C@H](O[C@H]2CC(C)O[C@@H](CO)C2O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H24O10/c1-5-3-6(8(16)7(4-15)22-5)23-14-10(18)9(17)11(21-2)12(24-14)13(19)20/h5-12,14-18H,3-4H2,1-2H3,(H,19,20)/t5?,6-,7-,8?,9+,10-,11?,12+,14-/m0/s1
InChIKeyITCCFUVUIVMTEC-JLIDKKPJSA-N
XLogP-2.55
TPSA155.14 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 5-2.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid (CID 121386516) is (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid is COC1[C@H](C(=O)O)O[C@H](O[C@H]2CC(C)O[C@@H](CO)C2O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid?
The InChIKey is ITCCFUVUIVMTEC-JLIDKKPJSA-N. The full InChI is InChI=1S/C14H24O10/c1-5-3-6(8(16)7(4-15)22-5)23-14-10(18)9(17)11(21-2)12(24-14)13(19)20/h5-12,14-18H,3-4H2,1-2H3,(H,19,20)/t5?,6-,7-,8?,9+,10-,11?,12+,14-/m0/s1.
What are the key properties of (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid?
(2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid has a molecular weight of 352.34 g/mol, XLogP of -2.55, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6S)-4,5-dihydroxy-6-[(2S,4S)-3-hydroxy-2-(hydroxymethyl)-6-methyloxan-4-yl]oxy-3-methoxyoxane-2-carboxylic acid is sourced from PubChem (CID 121386516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).