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tert-butyl N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl)carbamate
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ChemBase ID:
152445
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Molecular Formular:
C29H60N2O13
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Molecular Mass:
644.7923
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Monoisotopic Mass:
644.40953999
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SMILES and InChIs
SMILES:
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN
Canonical SMILES:
NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
InChI:
InChI=1S/C29H60N2O13/c1-29(2,3)44-28(32)31-5-7-34-9-11-36-13-15-38-17-19-40-21-23-42-25-27-43-26-24-41-22-20-39-18-16-37-14-12-35-10-8-33-6-4-30/h4-27,30H2,1-3H3,(H,31,32)
InChIKey:
GISRSYIQHFGCMC-UHFFFAOYSA-N
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Cite this record
CBID:152445 http://www.chembase.cn/molecule-152445.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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tert-butyl N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl)carbamate
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IUPAC Traditional name
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tert-butyl N-(35-amino-3,6,9,12,15,18,21,24,27,30,33-undecaoxapentatriacontan-1-yl)carbamate
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Synonyms
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Boc-PEG-amine (n=11)
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O-(2-Aminoethyl)-O′-[2-(Boc-amino)ethyl]decaethylene glycol
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叔丁氧羰基-PEG-胺(聚合度为 11)
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O-(2-氨基乙基)-O′-[2-(叔丁氧羰基-氨基)乙基]十聚乙二醇
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.565774
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H Acceptors
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13
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H Donor
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2
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LogD (pH = 5.5)
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-3.4301798
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LogD (pH = 7.4)
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-2.4544914
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Log P
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-0.44707587
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Molar Refractivity
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164.2201 cm3
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Polarizability
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65.37925 Å3
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Polar Surface Area
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165.88 Å2
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Rotatable Bonds
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37
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent