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(1R,8S,9S)-9-{[({2-[2-(2-{2-[(4-nitrophenoxycarbonyl)oxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)oxy]methyl}bicyclo[6.1.0]non-4-yne

(1R,8S,9S)-9-{[({2-[2-(2-{2-[(4-nitrophenoxycarbonyl)oxy]ethoxy}ethoxy)ethoxy]ethyl}carbamoyl)oxy]methyl}bicyclo[6.1.0]non-4-yne

CAS: 2126749-78-6

Formula: C26H34N2O10

SMILES: [H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCOC(=O)OC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: (1R,8S,9S)-9-({[(2-{2-[2-(2-{[(4-nitrophenoxy)carbonyl]oxy}ethoxy)ethoxy]ethoxy}ethyl)carbamoyl]oxy}methyl)bicyclo[6.1.0]non-4-yne

InChI: InChI=1S/C26H34N2O10/c29-25(37-19-24-22-5-3-1-2-4-6-23(22)24)27-11-12-33-13-14-34-15-16-35-17-18-36-26(30)38-21-9-7-20(8-10-21)28(31)32/h7-10,22-24H,3-6,11-19H2,(H,27,29)/t22-,23+,24-

Composition: C (58.42%), H (6.41%), N (5.24%), O (29.93%)

Molar Mass: 534.562

Atom Count: 72

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 534.221345303
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 1
InChIKey BVZOGCXKPKMYGZ-BKFWDETESA-N
Lipinski's Rule of Five
Molar Refractivity 134.28
Topological Polar Surface Area 144.69
Polarizability 52.07
Ring Count 3
Rotatable Bond Count 19

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 2126749-78-6 $548.10-$1,587.60$548.10$926.10$1,587.60
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