Home Other Building Blocks (S,S)-(+)-2,6-BIS[2-(HYDROXYDIPHENYLMETHYL)-1-PYRROLIDINYL-METHYL]-4-METHYLPHENOL

(S,S)-(+)-2,6-BIS[2-(HYDROXYDIPHENYLMETHYL)-1-PYRROLIDINYL-METHYL]-4-METHYLPHENOL

CAS No.:
320714-00-9
Catalog Number:
AG00CMPC
Molecular Formula:
C43H46N2O3
Molecular Weight:
638.8369
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CMPC
Chemical Name:
(S,S)-(+)-2,6-BIS[2-(HYDROXYDIPHENYLMETHYL)-1-PYRROLIDINYL-METHYL]-4-METHYLPHENOL
CAS Number:
320714-00-9
Molecular Formula:
C43H46N2O3
Molecular Weight:
638.8369
MDL Number:
MFCD08276890
IUPAC Name:
2,6-bis[[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphenol
InChI:
InChI=1S/C43H46N2O3/c1-32-28-33(30-44-26-14-24-39(44)42(47,35-16-6-2-7-17-35)36-18-8-3-9-19-36)41(46)34(29-32)31-45-27-15-25-40(45)43(48,37-20-10-4-11-21-37)38-22-12-5-13-23-38/h2-13,16-23,28-29,39-40,46-48H,14-15,24-27,30-31H2,1H3/t39-,40-/m0/s1
InChI Key:
NEOVWBNAXIBNRT-ZAQUEYBZSA-N
SMILES:
Cc1cc(CN2CCC[C@H]2C(c2ccccc2)(c2ccccc2)O)c(c(c1)CN1CCC[C@H]1C(c1ccccc1)(c1ccccc1)O)O
Properties
Complexity:
869  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
638.351g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
638.852g/mol
Monoisotopic Mass:
638.351g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4  
Properties