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866030-35-5 | tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate
CAS No: 866030-35-5 Catalog No: AG004L2B MDL No:MFCD20526612
Product Description
Catalog Number:
AG004L2B
Chemical Name:
tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzyl)-4-methylpentyl)carbamate
CAS Number:
866030-35-5
Molecular Formula:
C30H49NO7
Molecular Weight:
535.7126
MDL Number:
MFCD20526612
IUPAC Name:
tert-butyl N-[(1S,3S)-3-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
InChI:
InChI=1S/C30H49NO7/c1-19(2)22(15-21-11-12-25(35-9)27(16-21)36-14-10-13-34-8)17-24(31-29(33)38-30(5,6)7)26-18-23(20(3)4)28(32)37-26/h11-12,16,19-20,22-24,26H,10,13-15,17-18H2,1-9H3,(H,31,33)/t22-,23-,24-,26-/m0/s1
InChI Key:
CYUJPKOZIGBPOO-IGRGDXOOSA-N
SMILES:
COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H]1OC(=O)[C@@H](C1)C(C)C)NC(=O)OC(C)(C)C
EC Number:
617-890-7
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
535.351g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
535.722g/mol
Monoisotopic Mass:
535.351g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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