N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide

C13H25NO7 — CID 141113311

IUPACN-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
SMILESCCCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H25NO7/c1-2-3-4-5-6-9(17)14-13(21)12(20)11(19)10(18)8(16)7-15/h8,10-12,15-16,18-20H,2-7H2,1H3,(H,14,17,21)/t8-,10-,11+,12-/m1/s1
InChIKeyJGOFXSAIGOBHKU-KXGXSXBTSA-N
MW307.34 g/mol
LogP-1.96
Rot. Bonds10

About N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide

N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide (PubChem CID 141113311) has the molecular formula C13H25NO7 and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
PubChem CID141113311
Molecular FormulaC13H25NO7
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC NameN-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide
SMILESCCCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C13H25NO7/c1-2-3-4-5-6-9(17)14-13(21)12(20)11(19)10(18)8(16)7-15/h8,10-12,15-16,18-20H,2-7H2,1H3,(H,14,17,21)/t8-,10-,11+,12-/m1/s1
InChIKeyJGOFXSAIGOBHKU-KXGXSXBTSA-N
XLogP-1.96
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.34
LogP ≤ 5-1.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
(2R,3S,4R,5R)-N-hexanoyl-2,3,4,5,6-pentahydroxyhexanamide
CID 141176640
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,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
CID 18658603
(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
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
CID 141256889

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide?
The IUPAC name of N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide (CID 141113311) is N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide.
What is the SMILES notation for N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide?
The canonical SMILES for N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide is CCCCCCC(=O)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide?
The InChIKey is JGOFXSAIGOBHKU-KXGXSXBTSA-N. The full InChI is InChI=1S/C13H25NO7/c1-2-3-4-5-6-9(17)14-13(21)12(20)11(19)10(18)8(16)7-15/h8,10-12,15-16,18-20H,2-7H2,1H3,(H,14,17,21)/t8-,10-,11+,12-/m1/s1.
What are the key properties of N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide?
N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide has a molecular weight of 307.34 g/mol, XLogP of -1.96, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]heptanamide is sourced from PubChem (CID 141113311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).