[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate

C14H27NO6 — CID 166897437

IUPAC[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C14H27NO6/c1-7-8(2)15-14(16)21-13-12(19-6)11(18-5)10(17-4)9(3)20-13/h8-13H,7H2,1-6H3,(H,15,16)/t8?,9-,10-,11+,12+,13-/m0/s1
InChIKeyCVYRLVFUZWAEBB-ZTRLVFFBSA-N
MW305.37 g/mol
LogP1.30
Rot. Bonds6

About [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate

[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate (PubChem CID 166897437) has the molecular formula C14H27NO6 and a molecular weight of 305.37 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate
PubChem CID166897437
Molecular FormulaC14H27NO6
Molecular Weight305.37 g/mol
Exact Mass305.18
IUPAC Name[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC
InChIInChI=1S/C14H27NO6/c1-7-8(2)15-14(16)21-13-12(19-6)11(18-5)10(17-4)9(3)20-13/h8-13H,7H2,1-6H3,(H,15,16)/t8?,9-,10-,11+,12+,13-/m0/s1
InChIKeyCVYRLVFUZWAEBB-ZTRLVFFBSA-N
XLogP1.30
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate with MolForge

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Related Compounds

[(2S,3R,4R,5S,6S)-3,5-dimethoxy-6-methyl-4-propoxyoxan-2-yl] N-methylcarbamate
CID 146320209
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]carbamate
CID 89044455
sulfanyl N-butan-2-ylcarbamate
CID 58226162
(2S,3S,4S,5S,6S)-3-ethoxy-4,5-dimethoxy-2,6-dimethyloxane
CID 58620285
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
(2S,3S,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxyoxane-2-carboxylic acid
CID 91854426
14-methyl-3-[3-methyl-5-oxo-5-(3,4,5-trimethoxy-6-methyloxan-2-yl)oxypentanoyl]oxypentadecanoate
CID 142927790
(2S,3S,5S,6R)-4-ethoxy-3,5-dimethoxy-2,6-dimethyloxane
CID 163737733
[(2S,3R,4R,5S)-2-methyl-4,5,6-tri(propanoyloxy)oxan-3-yl] propanoate
CID 137357329

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate?
The IUPAC name of [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate (CID 166897437) is [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate.
What is the SMILES notation for [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate?
The canonical SMILES for [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate is CCC(C)NC(=O)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC.
What is the InChIKey of [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate?
The InChIKey is CVYRLVFUZWAEBB-ZTRLVFFBSA-N. The full InChI is InChI=1S/C14H27NO6/c1-7-8(2)15-14(16)21-13-12(19-6)11(18-5)10(17-4)9(3)20-13/h8-13H,7H2,1-6H3,(H,15,16)/t8?,9-,10-,11+,12+,13-/m0/s1.
What are the key properties of [(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate?
[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate has a molecular weight of 305.37 g/mol, XLogP of 1.30, 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)-3,4,5-trimethoxy-6-methyloxan-2-yl] N-butan-2-ylcarbamate is sourced from PubChem (CID 166897437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).