2,5-bis(2,5,8,11,14-pentaoxapentadecan-1-yl)phenylboronic acid

2,5-bis(2,5,8,11,14-pentaoxapentadecan-1-yl)phenylboronic acid

CAS: 957121-01-6

Formula: C26H47BO12

SMILES: COCCOCCOCCOCCOCC1=CC=C(COCCOCCOCCOCCOC)C(=C1)B(O)O

IUPAC: [2,5-bis(2,5,8,11,14-pentaoxapentadecan-1-yl)phenyl]boronic acid

InChI: InChI=1S/C26H47BO12/c1-30-5-7-32-9-11-34-13-15-36-17-19-38-22-24-3-4-25(26(21-24)27(28)29)23-39-20-18-37-16-14-35-12-10-33-8-6-31-2/h3-4,21,28-29H,5-20,22-23H2,1-2H3

Composition: C (55.52%), H (8.42%), B (1.92%), O (34.13%)

Molar Mass: 562.46

Atom Count: 86

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	562.316057
Formal Charge	0
FSP3	0.77
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	2
InChIKey	HYJIKPHPEGUMCN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	142.09
Topological Polar Surface Area	132.76
Polarizability	57.4
Ring Count	1
Rotatable Bond Count	29

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<6 Days	957121-01-6		$898.15-$1,713.50$898.15$1,713.50