Lentinic acid

CAT: 0013-GTR19223395Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19223395Size:5 mg

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Description

Lentinic acid is a naturally occurring bioactive compound used in biochemical research. It serves as a valuable tool for in vitro studies exploring its potential biological activities and mechanisms of action in various cellular models.

CAS Number

12705-98-5

Smiles

CS (=O) (=O) CS (=O) CS (=O) CS (=O) CC (NC (=O) CCC (N) C (O) =O) C (O) =O

Molecular Formula

C12H22N2O10S4

Molecular Weight

482.57

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Lentinic acid

CAS Number	12705-98-5
PubChem CID	91667951
IUPAC Name	(2S)-2-amino-5-[[(1R)-1-carboxy-2-(methylsulfonylmethylsulfinylmethylsulfinylmethylsulfinyl)ethyl]amino]-5-oxopentanoic acid
Molecular Formula	C12H22N2O10S4
Molecular Weight	482.6
XLogP	-7
Topological Polar Surface Area	281
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	14
Heavy Atom Count	28
Formal Charge	0
Complexity	761

SMILES

CS(=O)(=O)CS(=O)CS(=O)CS(=O)C[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C12H22N2O10S4/c1-28(23,24)7-27(22)6-26(21)5-25(20)4-9(12(18)19)14-10(15)3-2-8(13)11(16)17/h8-9H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,9-,25?,26?,27?/m0/s1

InChIKey

YJXVNZXKWINDJO-FHRLVKLVSA-N

Chemical Structure

2D Structure

CAS: 12705-98-5

CID: 91667951

Formula: C12H22N2O10S4

MW: 482.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.6
XLogP3	-7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	14
Exact Mass	482.01572960
Monoisotopic Mass	482.01572960
Topological Polar Surface Area	281 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	761
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Lentinic acid

Chemical Information

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