(2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

C24H40O19 — CID 160705303

IUPAC(2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)C[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O.O=C(CO)C[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O
InChIInChI=1S/C12H20O10.C12H20O9/c13-3-5(15)1-6-7(16)2-12(21,11(19)20)22-10(6)9(18)8(17)4-14;1-5(14)2-6-7(15)3-12(20,11(18)19)21-10(6)9(17)8(16)4-13/h6-10,13-14,16-18,21H,1-4H2,(H,19,20);6-10,13,15-17,20H,2-4H2,1H3,(H,18,19)/t2*6-,7-,8-,9-,10?,12-/m11/s1
InChIKeyRRDKXNRWRQZTND-UJPWMAFVSA-N
MW632.56 g/mol
LogP-6.59
Rot. Bonds13

About (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

(2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (PubChem CID 160705303) has the molecular formula C24H40O19 and a molecular weight of 632.56 g/mol. Its IUPAC name is (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
PubChem CID160705303
Molecular FormulaC24H40O19
Molecular Weight632.56 g/mol
Exact Mass632.22
IUPAC Name(2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SMILESCC(=O)C[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O.O=C(CO)C[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O
InChIInChI=1S/C12H20O10.C12H20O9/c13-3-5(15)1-6-7(16)2-12(21,11(19)20)22-10(6)9(18)8(17)4-14;1-5(14)2-6-7(15)3-12(20,11(18)19)21-10(6)9(17)8(16)4-13/h6-10,13-14,16-18,21H,1-4H2,(H,19,20);6-10,13,15-17,20H,2-4H2,1H3,(H,18,19)/t2*6-,7-,8-,9-,10?,12-/m11/s1
InChIKeyRRDKXNRWRQZTND-UJPWMAFVSA-N
XLogP-6.59
TPSA349.73 Ų
H-Bond Donors13
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500632.56
LogP ≤ 5-6.59
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1017

Analyze (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-hydroxy-5-(3-hydroxy-2-oxopropyl)-4-methyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 157392600
(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 59331138
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;hydrate
CID 68765363
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;gold
CID 174845928
(4R,5R)-2,4-dihydroxy-5-(4-oxopentanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 121291148
(4S,5R,6R)-2,4-dihydroxy-5-(hydroxyamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 140975112
(2S,4S,5S,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 93044160

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (CID 160705303) is (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is CC(=O)C[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O.O=C(CO)C[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O.
What is the InChIKey of (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
The InChIKey is RRDKXNRWRQZTND-UJPWMAFVSA-N. The full InChI is InChI=1S/C12H20O10.C12H20O9/c13-3-5(15)1-6-7(16)2-12(21,11(19)20)22-10(6)9(18)8(17)4-14;1-5(14)2-6-7(15)3-12(20,11(18)19)21-10(6)9(17)8(16)4-13/h6-10,13-14,16-18,21H,1-4H2,(H,19,20);6-10,13,15-17,20H,2-4H2,1H3,(H,18,19)/t2*6-,7-,8-,9-,10?,12-/m11/s1.
What are the key properties of (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid?
(2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid has a molecular weight of 632.56 g/mol, XLogP of -6.59, 13 rotatable bonds, 13 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2,4-dihydroxy-5-(3-hydroxy-2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;(2R,4R,5R)-2,4-dihydroxy-5-(2-oxopropyl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is sourced from PubChem (CID 160705303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).