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849928-23-0 | 2-(((9H-Fluoren-9-yl);methoxy);carbonyl);-8-(tert-butoxycarbonyl);-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CAS No: 849928-23-0 Catalog No: AG004U44 MDL No:MFCD07779072
Product Description
Catalog Number:
AG004U44
Chemical Name:
2-(((9H-Fluoren-9-yl);methoxy);carbonyl);-8-(tert-butoxycarbonyl);-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CAS Number:
849928-23-0
Molecular Formula:
C29H34N2O6
Molecular Weight:
506.5901
MDL Number:
MFCD07779072
IUPAC Name:
2-(9H-fluoren-9-ylmethoxycarbonyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
InChI:
InChI=1S/C29H34N2O6/c1-28(2,3)37-26(34)30-14-12-29(13-15-30)16-24(25(32)33)31(18-29)27(35)36-17-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,23-24H,12-18H2,1-3H3,(H,32,33)
InChI Key:
URRGFGKYPWMHCY-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(CC1C(=O)O)CCN(CC2)C(=O)OC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
854
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.242g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
506.599g/mol
Monoisotopic Mass:
506.242g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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