Penicillin V β-Sulfoxide-d3

CAT: 0024-sc-478975Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-478975Size:1 mg

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CAS Number

148680-07-3

Chemical Information

Penicillin V b-Sulfoxide-d3

CAS Number	148680-07-3
PubChem CID	131668324
IUPAC Name	(2S,3S,4S,5R,6R)-3-methyl-4,7-dioxo-6-[(2-phenoxyacetyl)amino]-3-(trideuteriomethyl)-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Formula	C16H18N2O6S
Molecular Weight	369.4
XLogP	0.8
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	616

SMILES

[2H]C([2H])([2H])[C@]1([C@@H](N2[C@H]([S@]1=O)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C16H18N2O6S/c1-16(2)12(15(21)22)18-13(20)11(14(18)25(16)23)17-10(19)8-24-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-,25-/m1/s1/i1D3/t11-,12+,14-,16-,25-

InChIKey

DNPOVSLJNLLGMA-AERZYDOTSA-N

Chemical Structure

2D Structure

CAS: 148680-07-3

CID: 131668324

Formula: C16H18N2O6S

MW: 369.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	369.10738771
Monoisotopic Mass	369.10738771
Topological Polar Surface Area	132 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	616
Isotope Atom Count	3
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
165866	Penicillin V β-Sulfoxide-d3
TRC-P223507-5MG	Penicillin V Beta-Sulfoxide-d3
HY-W779241-01	Penicillin V b-sulfoxide-d3
CS-T-60197	Penicillin V-Î2-Sulfoxide D3
287610-01	Penicillin g sulfoxide p-methoxybenzyl ester
CS-O-02843	Albendazole-d3 Sulfoxide
HY-12785S-01	Albendazole sulfoxide-d3
T19184-01	Albendazole sulfoxide D3
HY-132675S	Prochlorperazine Sulfoxide-d3
468072-01	Triclabendazole Sulfoxide-D3

Penicillin V β-Sulfoxide-d3

Chemical Information

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