[(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate

C20H37NO8 — CID 67702378

IUPAC[(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate
SMILESCCCCCCCC(=O)CCCCNC(=O)OC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H37NO8/c1-3-4-5-6-7-10-14(22)11-8-9-12-21-20(26)28-13-15-16(23)17(24)18(27-2)19(25)29-15/h15-19,23-25H,3-13H2,1-2H3,(H,21,26)/t15-,16-,17+,18-,19+/m1/s1
InChIKeyFNIXXHOPEVBUOD-FQBWVUSXSA-N
MW419.52 g/mol
LogP1.27
Rot. Bonds14

About [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate

[(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate (PubChem CID 67702378) has the molecular formula C20H37NO8 and a molecular weight of 419.52 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate
PubChem CID67702378
Molecular FormulaC20H37NO8
Molecular Weight419.52 g/mol
Exact Mass419.25
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate
SMILESCCCCCCCC(=O)CCCCNC(=O)OC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H37NO8/c1-3-4-5-6-7-10-14(22)11-8-9-12-21-20(26)28-13-15-16(23)17(24)18(27-2)19(25)29-15/h15-19,23-25H,3-13H2,1-2H3,(H,21,26)/t15-,16-,17+,18-,19+/m1/s1
InChIKeyFNIXXHOPEVBUOD-FQBWVUSXSA-N
XLogP1.27
TPSA134.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate 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

[(2R,3S,4S,5R)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl decanoate
CID 67843310
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl N-heptylcarbamate
CID 98140406
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]methyl N-heptylcarbamate
CID 141087416
[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate
CID 118561897
[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octanoate
CID 101360009
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dodecanoate
CID 10193765
oxiran-2-ylmethyl N-decylcarbamate
CID 102421283
[4-(hydroxymethyl)oxetan-2-yl]methyl N-octadecylcarbamate
CID 21463379
[(2R,3S,4S,5R)-5-decanoyloxy-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl decanoate
CID 18650864
[(2R,3R,4S,5R,6S)-5-hexadecanoyloxy-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl hexadecanoate
CID 177385970
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexanoate
CID 102094451
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl N-ethylcarbamate
CID 101002627

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate?
The IUPAC name of [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate (CID 67702378) is [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate?
The canonical SMILES for [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate is CCCCCCCC(=O)CCCCNC(=O)OC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate?
The InChIKey is FNIXXHOPEVBUOD-FQBWVUSXSA-N. The full InChI is InChI=1S/C20H37NO8/c1-3-4-5-6-7-10-14(22)11-8-9-12-21-20(26)28-13-15-16(23)17(24)18(27-2)19(25)29-15/h15-19,23-25H,3-13H2,1-2H3,(H,21,26)/t15-,16-,17+,18-,19+/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate?
[(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate has a molecular weight of 419.52 g/mol, XLogP of 1.27, 14 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-3,4,6-trihydroxy-5-methoxyoxan-2-yl]methyl N-(5-oxododecyl)carbamate is sourced from PubChem (CID 67702378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).