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

C13H23NO7 — CID 11198047

IUPAC(4R,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?/m1/s1
InChIKeyYOLAUIMRJUSMCJ-PNFNOFIGSA-N
MW305.33 g/mol
LogP-1.08
Rot. Bonds6

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

(4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 11198047) has the molecular formula C13H23NO7 and a molecular weight of 305.33 g/mol. Its IUPAC name is (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID11198047
Molecular FormulaC13H23NO7
Molecular Weight305.33 g/mol
Exact Mass305.15
IUPAC Name(4R,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?/m1/s1
InChIKeyYOLAUIMRJUSMCJ-PNFNOFIGSA-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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid (CID 11198047) is (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (4R,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 (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is YOLAUIMRJUSMCJ-PNFNOFIGSA-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?/m1/s1.
What are the key properties of (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid?
(4R,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 (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 11198047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).