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13-hydroxy-10,16-diiodo-12,14-dioxa-13??-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2,4,6,8,10,16,18,20,22-decaen-13-one

13-hydroxy-10,16-diiodo-12,14-dioxa-13??-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2,4,6,8,10,16,18,20,22-decaen-13-one

Formula: C20H11I2O4P

SMILES: OP1(=O)OC2=C(C3=CC=CC=C3C=C2I)C2=C3C=CC=CC3=CC(I)=C2O1

IUPAC: 13-hydroxy-10,16-diiodo-12,14-dioxa-13??-phosphapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2,4,6,8,10,16,18,20,22-decaen-13-one

InChI: InChI=1S/C20H11I2O4P/c21-15-9-11-5-1-3-7-13(11)17-18-14-8-4-2-6-12(14)10-16(22)20(18)26-27(23,24)25-19(15)17/h1-10H,(H,23,24)

Composition: C (40.03%), H (1.85%), I (42.30%), O (10.66%), P (5.16%)

Molar Mass: 600.087

Atom Count: 38

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 599.84844
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey YXFPHECSRIZOPR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 121.88
Topological Polar Surface Area 55.76
Polarizability 50.71
Ring Count 5
Rotatable Bond Count 0

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Purity LeadTime Formula UnitPrice
98% <10 Days C20H11I2O4P Quote Only