(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

C13H23NO7 — CID 11220459

IUPAC(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1O
InChIInChI=1S/C13H23NO7/c1-3-5-14(6-4-2)11(17)10-9(16)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?/m0/s1
InChIKeyYOLAUIMRJUSMCJ-MITHSLQISA-N
MW305.33 g/mol
LogP-1.08
Rot. Bonds6

About (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid

(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 11220459) has the molecular formula C13H23NO7 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID11220459
Molecular FormulaC13H23NO7
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1O
InChIInChI=1S/C13H23NO7/c1-3-5-14(6-4-2)11(17)10-9(16)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?/m0/s1
InChIKeyYOLAUIMRJUSMCJ-MITHSLQISA-N
XLogP-1.08
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
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 (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
CID 72756610
(4S,5R,6R)-7-(dipropylamino)-4,5,6-trihydroxy-2,7-dioxoheptanoic acid
CID 90899190
(2S,3R,4S,5S,6R)-N-butyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
CID 91323839
(6R)-6-(dipropylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294313
(6R)-2,4-dihydroxy-6-(piperidine-1-carbonyl)oxane-2-carboxylic acid
CID 102294315
(6R)-2,4-dihydroxy-6-[methyl(propyl)carbamoyl]oxane-2-carboxylic acid
CID 102294316
(6R)-6-(dimethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294317
(6R)-6-(diethylcarbamoyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 102294318
N-glykolylsialinsaure
CID 129632297
2-Oxo-1-[(2s,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydro-2h-pyran-2-yl]-2-({[(2r,3s,4r,5r)-2,3,4,5-tetrahydroxytetrahydro-2h-pyran-2-yl]methyl}amino)ethyl acetate
CID 164687735
2-Oxo-1-[(2r,3r,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-yl]-2-({[(2r,3r,4s,5r,6s)-3,4,5,6-tetrahydroxytetrahydro-2h-pyran-2-yl]methyl}amino)ethyl acetate
CID 164687736
3-ethoxy-3-oxo-2-[[(2S,3S,4S,5S,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxane-2-carbonyl]amino]propanoic acid
CID 18457712

Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (CID 11220459) is (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid is CCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1O.
What is the InChIKey of (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is YOLAUIMRJUSMCJ-MITHSLQISA-N. The full InChI is InChI=1S/C13H23NO7/c1-3-5-14(6-4-2)11(17)10-9(16)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?/m0/s1.
What are the key properties of (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
(4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of -1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 11220459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).