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sodium 7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(furan-2-carbonylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

sodium 7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(furan-2-carbonylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS: 104010-37-9

Formula: C19H16N5NaO7S3

SMILES: [Na+].CON=C(C(=O)NC1C2SCC(CSC(=O)C3=CC=CO3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1

IUPAC: sodium 7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[(furan-2-carbonylsulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChI: InChI=1/C19H17N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,12,16H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1

Composition: C (41.83%), H (2.96%), N (12.84%), Na (4.21%), O (20.53%), S (17.63%)

Molar Mass: 545.53

Atom Count: 51

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 545.01095568
Formal Charge 0
FSP3 0.26
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 2
InChIKey RFLHUYUQCKHUKS-UHFFFAOYNA-M
Lipinski's Rule of Five
Molar Refractivity 135.35
Topological Polar Surface Area 180.25
Polarizability 46.93
Ring Count 4
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 104010-37-9 $49.16-$69.92$49.16$57.90$69.92
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