(4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid

C13H23NO7 — CID 11185811

IUPAC(4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H]1O
InChIInChI=1S/C13H23NO7/c1-3-5-14(6-4-2)11(17)9(16)10-8(15)7-13(20,21-10)12(18)19/h8-10,15-16,20H,3-7H2,1-2H3,(H,18,19)/t8-,9-,10-,13?/m1/s1
InChIKeyGDNSHKPVFXYNRF-PNFNOFIGSA-N
MW305.33 g/mol
LogP-1.08
Rot. Bonds7

About (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid

(4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid (PubChem CID 11185811) has the molecular formula C13H23NO7 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid
PubChem CID11185811
Molecular FormulaC13H23NO7
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name(4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H]1O
InChIInChI=1S/C13H23NO7/c1-3-5-14(6-4-2)11(17)9(16)10-8(15)7-13(20,21-10)12(18)19/h8-10,15-16,20H,3-7H2,1-2H3,(H,18,19)/t8-,9-,10-,13?/m1/s1
InChIKeyGDNSHKPVFXYNRF-PNFNOFIGSA-N
XLogP-1.08
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid with MolForge

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Related Compounds

(2R,4R)-6-(1,2-dihydroxyethyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 174067243
(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294313
(5R)-5-amino-6-[(1R,2R)-1,2-dihydroxybutyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 121291182
CID 59879035
CID 59879035
(4S,5R,6R)-2,4-dihydroxy-5-(hydroxyamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 140975112
(5R)-5-amino-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 121291183
(5R,6S)-5-amino-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 59331138
(4S,5R,6R)-5-amino-6-(1,3-dihydroxy-2-methoxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 174240920
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
5-azido-6-(2-azido-1-hydroxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 166813992
(4S,5R,6R)-2,4-dihydroxy-5-(4-oxohexanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 140519837

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid?
The IUPAC name of (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid (CID 11185811) is (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid.
What is the SMILES notation for (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid?
The canonical SMILES for (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid is CCCN(CCC)C(=O)[C@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H]1O.
What is the InChIKey of (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid?
The InChIKey is GDNSHKPVFXYNRF-PNFNOFIGSA-N. The full InChI is InChI=1S/C13H23NO7/c1-3-5-14(6-4-2)11(17)9(16)10-8(15)7-13(20,21-10)12(18)19/h8-10,15-16,20H,3-7H2,1-2H3,(H,18,19)/t8-,9-,10-,13?/m1/s1.
What are the key properties of (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid?
(4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(1R)-2-(dipropylamino)-1-hydroxy-2-oxoethyl]-2,4-dihydroxyoxolane-2-carboxylic acid is sourced from PubChem (CID 11185811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).