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(2S,3S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methoxybutanoic acid

(2S,3S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-methoxybutanoic acid

CAS: 1279029-70-7

Formula: C20H21NO5

SMILES: CO[C@@H](C)[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

IUPAC: (2S,3S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methoxybutanoic acid

InChI: InChI=1S/C20H21NO5/c1-12(25-2)18(19(22)23)21-20(24)26-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,21,24)(H,22,23)/t12-,18-/m0/s1

Composition: C (67.59%), H (5.96%), N (3.94%), O (22.51%)

Molar Mass: 355.39

Atom Count: 47

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 355.14197278
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey BOGQZFFOTLSMMA-SGTLLEGYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.29
Topological Polar Surface Area 84.86
Polarizability 38.37
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1279029-70-7 $141.12-$1,372.80$141.12$422.40$1,372.80
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