Text Search
Structure Search

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methoxyphenyl)methyl]selanyl}propanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methoxyphenyl)methyl]selanyl}propanoic acid

CAS: 150308-80-8

Formula: C26H25NO5Se

SMILES: COC1=CC=C(C[Se]C[C@H](NC(=O)OCC2C3=CC=CC=C3C3=C2C=CC=C3)C(O)=O)C=C1

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-{[(4-methoxyphenyl)methyl]selanyl}propanoic acid

InChI: InChI=1S/C26H25NO5Se/c1-31-18-12-10-17(11-13-18)15-33-16-24(25(28)29)27-26(30)32-14-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-16H2,1H3,(H,27,30)(H,28,29)/t24-/m0/s1

Composition: C (61.18%), H (4.94%), N (2.74%), O (15.67%), Se (15.47%)

Molar Mass: 510.459

Atom Count: 58

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 511.089795
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XCPAYIZRJRMXBI-DEOSSOPVSA-N
Lipinski's Rule of Five
Molar Refractivity 133.4
Topological Polar Surface Area 84.86
Polarizability 47.51
Ring Count 4
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 150308-80-8 $89.01-$132.48$89.01$132.48
Request Quote
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 150308-80-8 $87.40-$1,067.20$87.40$1,067.20
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 150308-80-8 $113.49-$1,426.19$113.49$1,426.19
Request Quote