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bis(N,N-bis[(1R)-1-phenylethyl]-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4,6,8(20),12,14,16(19)-hexaen-10-amine)

bis(N,N-bis[(1R)-1-phenylethyl]-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4,6,8(20),12,14,16(19)-hexaen-10-amine)

CAS: 500997-70-6

Formula: C66H64N2O4P2

SMILES: C[C@@H](N([C@H](C)C1=CC=CC=C1)P1OC2=CC=CC3=C2C2(CCC4=CC=CC(O1)=C24)CC3)C1=CC=CC=C1.C[C@@H](N([C@H](C)C1=CC=CC=C1)P1OC2=CC=CC3=C2C2(CCC4=CC=CC(O1)=C24)CC3)C1=CC=CC=C1

IUPAC: bis(N,N-bis[(1R)-1-phenylethyl]-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4,6,8(20),12,14,16(19)-hexaen-10-amine)

InChI: InChI=1S/2C33H32NO2P/c2*1-23(25-11-5-3-6-12-25)34(24(2)26-13-7-4-8-14-26)37-35-29-17-9-15-27-19-21-33(31(27)29)22-20-28-16-10-18-30(36-37)32(28)33/h2*3-18,23-24H,19-22H2,1-2H3/t2*23-,24-,33?/m11/s1

Composition: C (78.39%), H (6.38%), N (2.77%), O (6.33%), P (6.13%)

Molar Mass: 1011.196

Atom Count: 138

Heavy Atom Count: 74

Properties
Properties
Common Names N/A
Aromatic Ring Count 8
Asymmetric Atom Count 4
Exact Mass 1010.434132545
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey COHSRDWBJBTJNQ-PZPZOJBSSA-N
Lipinski's Rule of Five
Molar Refractivity 162.12
Topological Polar Surface Area 21.7
Polarizability 58.9
Ring Count 14
Rotatable Bond Count 10

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