(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide

C11H21NO7 — CID 127036951

IUPAC(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO7/c1-5(2)6(3-13)12-10(17)8-7(15)9(16)11(18,4-14)19-8/h5-9,13-16,18H,3-4H2,1-2H3,(H,12,17)/t6-,7-,8+,9+,11-/m1/s1
InChIKeyZGLULSCFDDUYAC-LSQHKTNHSA-N
MW279.29 g/mol
LogP-3.08
Rot. Bonds5

About (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide

(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide (PubChem CID 127036951) has the molecular formula C11H21NO7 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
PubChem CID127036951
Molecular FormulaC11H21NO7
Molecular Weight279.29 g/mol
Exact Mass279.13
IUPAC Name(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H21NO7/c1-5(2)6(3-13)12-10(17)8-7(15)9(16)11(18,4-14)19-8/h5-9,13-16,18H,3-4H2,1-2H3,(H,12,17)/t6-,7-,8+,9+,11-/m1/s1
InChIKeyZGLULSCFDDUYAC-LSQHKTNHSA-N
XLogP-3.08
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.29
LogP ≤ 5-3.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide (CID 127036951) is (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide is CC(C)[C@@H](CO)NC(=O)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide?
The InChIKey is ZGLULSCFDDUYAC-LSQHKTNHSA-N. The full InChI is InChI=1S/C11H21NO7/c1-5(2)6(3-13)12-10(17)8-7(15)9(16)11(18,4-14)19-8/h5-9,13-16,18H,3-4H2,1-2H3,(H,12,17)/t6-,7-,8+,9+,11-/m1/s1.
What are the key properties of (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide?
(2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide has a molecular weight of 279.29 g/mol, XLogP of -3.08, 5 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 127036951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).