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(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[4-(phosphonomethyl)phenyl]propanoic acid

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[4-(phosphonomethyl)phenyl]propanoic acid

CAS: 229180-64-7

Formula: C25H24NO7P

SMILES: OC(=O)[C@H](CC1=CC=C(CP(O)(O)=O)C=C1)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(phosphonomethyl)phenyl]propanoic acid

InChI: InChI=1S/C25H24NO7P/c27-24(28)23(13-16-9-11-17(12-10-16)15-34(30,31)32)26-25(29)33-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22-23H,13-15H2,(H,26,29)(H,27,28)(H2,30,31,32)/t23-/m0/s1

Composition: C (62.37%), H (5.02%), N (2.91%), O (23.26%), P (6.43%)

Molar Mass: 481.441

Atom Count: 58

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 481.129039115
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey OBRYXGOVBZKHLL-QHCPKHFHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.05
Topological Polar Surface Area 133.16
Polarizability 49.61
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 229180-64-7 $191.48-$351.90$191.48$351.90
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 229180-64-7 $189.75-$3,406.30$189.75$369.15$767.05$3,406.30
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