(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide

C25H51NO6 — CID 15143245

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H51NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(2)25(32)24(31)23(30)22(29)21(28)20-27/h21-24,27-31H,3-20H2,1-2H3/t21-,22-,23+,24-/m1/s1
InChIKeyDUBGARALAZQDOD-JLLPCOHGSA-N
MW461.68 g/mol
LogP3.14
Rot. Bonds22

About (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide (PubChem CID 15143245) has the molecular formula C25H51NO6 and a molecular weight of 461.68 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide
PubChem CID15143245
Molecular FormulaC25H51NO6
Molecular Weight461.68 g/mol
Exact Mass461.37
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide
SMILESCCCCCCCCCCCCCCCCCCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C25H51NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(2)25(32)24(31)23(30)22(29)21(28)20-27/h21-24,27-31H,3-20H2,1-2H3/t21-,22-,23+,24-/m1/s1
InChIKeyDUBGARALAZQDOD-JLLPCOHGSA-N
XLogP3.14
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.68
LogP ≤ 53.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dodecyl-2,3,4,5,6-pentahydroxy-N-(1-methoxypropyl)hexanamide
CID 174737549
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247
(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10478004
1,2,3,4,5-pentahydroxytetracosan-6-one
CID 174434517
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxytridecan-6-one
CID 87273636
6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol
CID 72549336
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxydodecan-6-one
CID 163366048
(2R,3S,4S,5R)-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 118678688
(2R,3S,4R,5R)-6-[dodecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10316673
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
CID 141256889
(2R,3R,4S,5R)-1,2,3,4,5,6-hexahydroxypentadecan-7-one
CID 175836941

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide (CID 15143245) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide is CCCCCCCCCCCCCCCCCCN(C)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide?
The InChIKey is DUBGARALAZQDOD-JLLPCOHGSA-N. The full InChI is InChI=1S/C25H51NO6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(2)25(32)24(31)23(30)22(29)21(28)20-27/h21-24,27-31H,3-20H2,1-2H3/t21-,22-,23+,24-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide has a molecular weight of 461.68 g/mol, XLogP of 3.14, 22 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide is sourced from PubChem (CID 15143245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).