bis((2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide); sulfuric acid

bis((2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide); sulfuric acid

CAS: 11075-87-9

Formula: C38H74N4O14S

SMILES: OS(O)(=O)=O.CC(C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO.CC(C)CCCC(=O)CCCCCCC(=O)CCN(O)C(=O)[C@@H](N)CO

IUPAC: bis((2S)-2-amino-N,3-dihydroxy-N-(14-methyl-3,10-dioxopentadecyl)propanamide); sulfuric acid

InChI: InChI=1S/2C19H36N2O5.H2O4S/c21-15(2)8-7-11-16(23)9-5-3-4-6-10-17(24)12-13-21(26)19(25)18(20)14-22;1-5(2,3)4/h215,18,22,26H,3-14,20H2,1-2H3;(H2,1,2,3,4)/t2*18-;/m00./s1

Composition: C (54.14%), H (8.85%), N (6.65%), O (26.57%), S (3.80%)

Molar Mass: 843.08

Atom Count: 131

Heavy Atom Count: 57

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	842.492224253
Formal Charge	0
FSP3	0.84
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	LQVOFMWEPHCSIY-IJBYHFJWSA-N
Lipinski's Rule of Five
Molar Refractivity	100.69
Topological Polar Surface Area	120.93
Polarizability	39.87
Ring Count	0
Rotatable Bond Count	32

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.69%	<7 Days	11075-87-9		$551.65-$2,758.25$551.65$822.80$1,402.50$1,963.50$2,758.25

Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	11075-87-9		$561.60-$959.40$561.60$959.40