3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide

C12H23NO8 — CID 67134273

IUPAC3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
SMILESCC(O)(CCO)CC(=O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H23NO8/c1-12(20,2-3-14)4-7(16)13-11-10(19)9(18)8(17)6(5-15)21-11/h6,8-11,14-15,17-20H,2-5H2,1H3,(H,13,16)/t6-,8-,9+,10-,11?,12?/m1/s1
InChIKeyBOGMEXVMBOQLGN-SJXZBUPHSA-N
MW309.32 g/mol
LogP-3.57
Rot. Bonds6

About 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide

3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide (PubChem CID 67134273) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide.

Molecular Properties

Compound Name3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
PubChem CID67134273
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide
SMILESCC(O)(CCO)CC(=O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H23NO8/c1-12(20,2-3-14)4-7(16)13-11-10(19)9(18)8(17)6(5-15)21-11/h6,8-11,14-15,17-20H,2-5H2,1H3,(H,13,16)/t6-,8-,9+,10-,11?,12?/m1/s1
InChIKeyBOGMEXVMBOQLGN-SJXZBUPHSA-N
XLogP-3.57
TPSA159.71 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 5-3.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
The IUPAC name of 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide (CID 67134273) is 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide.
What is the SMILES notation for 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
The canonical SMILES for 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide is CC(O)(CCO)CC(=O)NC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
The InChIKey is BOGMEXVMBOQLGN-SJXZBUPHSA-N. The full InChI is InChI=1S/C12H23NO8/c1-12(20,2-3-14)4-7(16)13-11-10(19)9(18)8(17)6(5-15)21-11/h6,8-11,14-15,17-20H,2-5H2,1H3,(H,13,16)/t6-,8-,9+,10-,11?,12?/m1/s1.
What are the key properties of 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide?
3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide has a molecular weight of 309.32 g/mol, XLogP of -3.57, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-3-methyl-N-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pentanamide is sourced from PubChem (CID 67134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).