1-{bicyclo[2.2.1]hept-5-en-2-ylformamido}-3,6,9,12-tetraoxapentadecan-15-oic acid

1-{bicyclo[2.2.1]hept-5-en-2-ylformamido}-3,6,9,12-tetraoxapentadecan-15-oic acid

CAS: 2682115-65-5

Formula: C19H31NO7

SMILES: OC(=O)CCOCCOCCOCCOCCNC(=O)C1CC2CC1C=C2

IUPAC: 1-({bicyclo[2.2.1]hept-5-en-2-yl}formamido)-3,6,9,12-tetraoxapentadecan-15-oic acid

InChI: InChI=1/C19H31NO7/c21-18(22)3-5-24-7-9-26-11-12-27-10-8-25-6-4-20-19(23)17-14-15-1-2-16(17)13-15/h1-2,15-17H,3-14H2,(H,20,23)(H,21,22)

Composition: C (59.20%), H (8.11%), N (3.63%), O (29.05%)

Molar Mass: 385.457

Atom Count: 58

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	385.210052342
Formal Charge	0
FSP3	0.79
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	VONWCHZVTVBNSL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.33
Topological Polar Surface Area	103.32
Polarizability	38.63
Ring Count	2
Rotatable Bond Count	16

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