Molecule

ID:91978

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₇
Molecular Mass
313.30316
Exact Mass
313.11615195
Charge
0
InChI
InChI=1S/C14H19NO7/c16-6-9-11(17)12(18)10(13(19)22-9)15-14(20)21-7-8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)/t9?,10-,11-,12+,13-/m0/s1
InChIKey
FRTOTMQAWIIMKK-XETPVMHDSA-N
Canonic Smiles
OCC1O[C@H](O)[C@H]([C@H]([C@H]1O)O)NC(=O)OCc1ccccc1
Isomeric Smiles
O1C(CO)[C@H](O)[C@@H]([C@@H]([C@H]1O)NC(=O)OCc1ccccc1)O
Calculated Properties
JChem
Acid pKa
11.684579
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-0.87681043
LogD (pH = 7.4)
-0.8768326
Log P
-0.87681013
Molar Refractivity
73.2609
Polarizability
29.572517
Polar Surface Area
128.48
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation
CAS 16684-31-4|benzyl N-[(2S,3S,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate|benzyl N-[(2S,3S,4R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate|N-Benzyloxycarbonyl-D-gluco... | Molfinder