[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate

C13H25NO6 — CID 146320209

IUPAC[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate
SMILESCCCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)NC)[C@@H]1OC
InChIInChI=1S/C13H25NO6/c1-6-7-18-10-9(16-4)8(2)19-12(11(10)17-5)20-13(15)14-3/h8-12H,6-7H2,1-5H3,(H,14,15)/t8-,9-,10+,11+,12-/m0/s1
InChIKeyWITGCTFJYXWPBX-HGCLJGPKSA-N
MW291.34 g/mol
LogP0.91
Rot. Bonds6

About [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate

[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate (PubChem CID 146320209) has the molecular formula C13H25NO6 and a molecular weight of 291.34 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate
PubChem CID146320209
Molecular FormulaC13H25NO6
Molecular Weight291.34 g/mol
Exact Mass291.17
IUPAC Name[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate
SMILESCCCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)NC)[C@@H]1OC
InChIInChI=1S/C13H25NO6/c1-6-7-18-10-9(16-4)8(2)19-12(11(10)17-5)20-13(15)14-3/h8-12H,6-7H2,1-5H3,(H,14,15)/t8-,9-,10+,11+,12-/m0/s1
InChIKeyWITGCTFJYXWPBX-HGCLJGPKSA-N
XLogP0.91
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate with MolForge

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Related Compounds

3,5-dimethoxy-6-methyl-4-propoxyoxan-2-ol
CID 76621622
[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate
CID 166897437
(2R,3R,4R,5S,6S)-4-ethoxy-2-[(2R,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,5-dimethoxy-6-methyloxane
CID 142763970
[(2S,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl] N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]carbamate
CID 59441480
[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-[4-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]carbamate
CID 90440482
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-[4-[1-[4-(1,1,2,2,3,3,3-heptafluoropropoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]carbamate
CID 122576640
[(2S,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl] N-[4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]phenyl]carbamate
CID 122576444
[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]carbamate
CID 89044455
[(2R,3S,5R)-5-butoxy-4-hydroxy-2-methoxy-6-methyloxan-3-yl] acetate
CID 90360142
[(2S,3R,4R,5S,6S)-4-ethoxy-3,5-dimethoxy-6-methyloxan-2-yl] N-[4-[1-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]phenyl]carbamate
CID 130332303
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate?
The IUPAC name of [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate (CID 146320209) is [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate.
What is the SMILES notation for [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate?
The canonical SMILES for [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate is CCCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)NC)[C@@H]1OC.
What is the InChIKey of [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate?
The InChIKey is WITGCTFJYXWPBX-HGCLJGPKSA-N. The full InChI is InChI=1S/C13H25NO6/c1-6-7-18-10-9(16-4)8(2)19-12(11(10)17-5)20-13(15)14-3/h8-12H,6-7H2,1-5H3,(H,14,15)/t8-,9-,10+,11+,12-/m0/s1.
What are the key properties of [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate?
[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate has a molecular weight of 291.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate is sourced from PubChem (CID 146320209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).