(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide

C12H23NO7 — CID 141176640

IUPAC(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H23NO7/c1-2-3-4-5-8(16)13-12(20)11(19)10(18)9(17)7(15)6-14/h7,9-11,14-15,17-19H,2-6H2,1H3,(H,13,16,20)/t7-,9-,10+,11-/m1/s1
InChIKeyPBOMBVRVDGMYLX-CZULRBLNSA-N
MW293.32 g/mol
LogP-2.35
Rot. Bonds9

About (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 141176640) has the molecular formula C12H23NO7 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID141176640
Molecular FormulaC12H23NO7
Molecular Weight293.32 g/mol
Exact Mass293.15
IUPAC Name(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C12H23NO7/c1-2-3-4-5-8(16)13-12(20)11(19)10(18)9(17)7(15)6-14/h7,9-11,14-15,17-19H,2-6H2,1H3,(H,13,16,20)/t7-,9-,10+,11-/m1/s1
InChIKeyPBOMBVRVDGMYLX-CZULRBLNSA-N
XLogP-2.35
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.32
LogP ≤ 5-2.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide with MolForge

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Related Compounds

N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]nonanamide
CID 141113307
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]undecanamide
CID 141113312
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
CID 141113311
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
CID 18658603
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]tetradecanamide
CID 57405062
N-[2-[[(2R,3R,4R)-2,3,4,5-tetrahydroxypentanoyl]amino]ethyl]decanamide
CID 57405064
(2R,3S,4S,5R)-N-acetyl-2,3,4,5,6-pentahydroxyhexanamide
CID 18631221
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxydodecan-6-one
CID 163366048
1,2,3,4,5-pentahydroxytetracosan-6-one
CID 174434517
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxytridecan-6-one
CID 87273636
(2R,3S,4S,5R)-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 118678688
N-[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 101193409

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide (CID 141176640) is (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide is CCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is PBOMBVRVDGMYLX-CZULRBLNSA-N. The full InChI is InChI=1S/C12H23NO7/c1-2-3-4-5-8(16)13-12(20)11(19)10(18)9(17)7(15)6-14/h7,9-11,14-15,17-19H,2-6H2,1H3,(H,13,16,20)/t7-,9-,10+,11-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide?
(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 293.32 g/mol, XLogP of -2.35, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 141176640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).