(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal

C20H41NO6 — CID 22874830

IUPAC(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal
SMILESCCCCCCCCCCCC(O)CCN[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C20H41NO6/c1-2-3-4-5-6-7-8-9-10-11-16(24)12-13-21-17(14-22)19(26)20(27)18(25)15-23/h14,16-21,23-27H,2-13,15H2,1H3/t16?,17-,18+,19+,20+/m0/s1
InChIKeyPWWNTBLKJRSYIN-UPGIWJNRSA-N
MW391.55 g/mol
LogP0.89
Rot. Bonds19

About (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal

(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal (PubChem CID 22874830) has the molecular formula C20H41NO6 and a molecular weight of 391.55 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal
PubChem CID22874830
Molecular FormulaC20H41NO6
Molecular Weight391.55 g/mol
Exact Mass391.29
IUPAC Name(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal
SMILESCCCCCCCCCCCC(O)CCN[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C20H41NO6/c1-2-3-4-5-6-7-8-9-10-11-16(24)12-13-21-17(14-22)19(26)20(27)18(25)15-23/h14,16-21,23-27H,2-13,15H2,1H3/t16?,17-,18+,19+,20+/m0/s1
InChIKeyPWWNTBLKJRSYIN-UPGIWJNRSA-N
XLogP0.89
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.55
LogP ≤ 50.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal 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-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexadecanamide
CID 88698330
N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]hexanamide
CID 20622219
5-hydroxy-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 11079412
hexadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 172817489
dodecane;pentadecane;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;propane-1,2,3-triol;tetradecane;tridecane
CID 173393072
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
dodecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
CID 87268278
hexadecyl N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]carbamate
CID 87268083
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-(methylamino)hexanal
CID 124764485
(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid
CID 175590660
[(2R,3S,4R,5R)-2,3,4-trihydroxy-6-oxo-5-(pentylamino)hexyl] dihydrogen phosphate
CID 87576954

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal?
The IUPAC name of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal (CID 22874830) is (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal.
What is the SMILES notation for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal?
The canonical SMILES for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal is CCCCCCCCCCCC(O)CCN[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal?
The InChIKey is PWWNTBLKJRSYIN-UPGIWJNRSA-N. The full InChI is InChI=1S/C20H41NO6/c1-2-3-4-5-6-7-8-9-10-11-16(24)12-13-21-17(14-22)19(26)20(27)18(25)15-23/h14,16-21,23-27H,2-13,15H2,1H3/t16?,17-,18+,19+,20+/m0/s1.
What are the key properties of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal?
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal has a molecular weight of 391.55 g/mol, XLogP of 0.89, 19 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(3-hydroxytetradecylamino)hexanal is sourced from PubChem (CID 22874830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).