tert-butyl 1-[15-(tert-butoxy)-15-oxo-3,6,9,12-tetraoxapentadecane-1-sulfonyl]-3,6,9,12-tetraoxapentadecan-15-oate

tert-butyl 1-[15-(tert-butoxy)-15-oxo-3,6,9,12-tetraoxapentadecane-1-sulfonyl]-3,6,9,12-tetraoxapentadecan-15-oate

CAS: 2055024-43-4

Formula: C30H58O14S

SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCCC(=O)OC(C)(C)C

IUPAC: tert-butyl 1-[15-(tert-butoxy)-15-oxo-3,6,9,12-tetraoxapentadecane-1-sulfonyl]-3,6,9,12-tetraoxapentadecan-15-oate

InChI: InChI=1S/C30H58O14S/c1-29(2,3)43-27(31)7-9-35-11-13-37-15-17-39-19-21-41-23-25-45(33,34)26-24-42-22-20-40-18-16-38-14-12-36-10-8-28(32)44-30(4,5)6/h7-26H2,1-6H3

Composition: C (53.39%), H (8.66%), O (33.19%), S (4.75%)

Molar Mass: 674.84

Atom Count: 103

Heavy Atom Count: 45

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	674.354727722
Formal Charge	0
FSP3	0.93
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	0
InChIKey	QXUPWBDVXWAANP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	166.61
Topological Polar Surface Area	160.58
Polarizability	67.46
Ring Count	0
Rotatable Bond Count	34

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	2055024-43-4		$302.40-$1,360.80$302.40$453.60$1,360.80