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N,N-bis[(1R)-1-phenylethyl]-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine

N,N-bis[(1R)-1-phenylethyl]-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine

CAS: 500997-69-3

Formula: C33H32NO2P

SMILES: C[C@@H](N([C@H](C)C1=CC=CC=C1)P1OC2=CC=CC3=C2C2(CC3)CCC3=C2C(O1)=CC=C3)C1=CC=CC=C1

IUPAC: N,N-bis[(1R)-1-phenylethyl]-9,11-dioxa-10-phosphapentacyclo[10.6.1.1¹,?.0¹?,¹?.0?,²?]icosa-4(20),5,7,12,14,16(19)-hexaen-10-amine

InChI: InChI=1S/C33H32NO2P/c1-23(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/h3-18,23-24H,19-22H2,1-2H3/t23-,24-,33?/m1/s1

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

Molar Mass: 505.598

Atom Count: 69

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 2
Exact Mass 505.217066272
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZXLQLIDJAURBDD-HRPAVAKOSA-N
Lipinski's Rule of Five
Molar Refractivity 162.12
Topological Polar Surface Area 21.7
Polarizability 58.9
Ring Count 7
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 500997-69-3 $73.87-$2,221.56$73.87$93.50$232.82$1,164.08$2,221.56
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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 500997-69-3 $252.45$252.45
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