(3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide

C11H21NO6 — CID 70667194

IUPAC(3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide
SMILESCC(C)CCNC(=O)C1O[C@@H](O)C(O)C(O)[C@H]1O
InChIInChI=1S/C11H21NO6/c1-5(2)3-4-12-10(16)9-7(14)6(13)8(15)11(17)18-9/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t6?,7-,8?,9?,11-/m1/s1
InChIKeyXNIWNRAARVWALJ-NOJITZFGSA-N
MW263.29 g/mol
LogP-2.05
Rot. Bonds4

About (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide

(3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide (PubChem CID 70667194) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide
PubChem CID70667194
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name(3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide
SMILESCC(C)CCNC(=O)C1O[C@@H](O)C(O)C(O)[C@H]1O
InChIInChI=1S/C11H21NO6/c1-5(2)3-4-12-10(16)9-7(14)6(13)8(15)11(17)18-9/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t6?,7-,8?,9?,11-/m1/s1
InChIKeyXNIWNRAARVWALJ-NOJITZFGSA-N
XLogP-2.05
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide?
The IUPAC name of (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide (CID 70667194) is (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide.
What is the SMILES notation for (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide?
The canonical SMILES for (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide is CC(C)CCNC(=O)C1O[C@@H](O)C(O)C(O)[C@H]1O.
What is the InChIKey of (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide?
The InChIKey is XNIWNRAARVWALJ-NOJITZFGSA-N. The full InChI is InChI=1S/C11H21NO6/c1-5(2)3-4-12-10(16)9-7(14)6(13)8(15)11(17)18-9/h5-9,11,13-15,17H,3-4H2,1-2H3,(H,12,16)/t6?,7-,8?,9?,11-/m1/s1.
What are the key properties of (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide?
(3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide has a molecular weight of 263.29 g/mol, XLogP of -2.05, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-3,4,5,6-tetrahydroxy-N-(3-methylbutyl)oxane-2-carboxamide is sourced from PubChem (CID 70667194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).