Salazinic acid

CAT: 0926-AAA52139-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA52139-01Size:5 mg

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CAS Number

521-39-1

MDL Number

MFCD00171326

Smiles

CC (C) C1=C (C=CC (=C1) Cl) OCC2CCNC2.Cl

Molecular Formula

C18H12O10

Molecular Weight

388.3 g/mol

Controlled

Chemical Information

Salazinic acid

salazinic acid has been reported in Cetrelia cetrarioides, Xanthoparmelia stenophylla, and other organisms with data available.

CAS Number	521-39-1
PubChem CID	5320418
IUPAC Name	5,13,17-trihydroxy-12-(hydroxymethyl)-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
Molecular Formula	C18H12O10
Molecular Weight	388.3
XLogP	1.1
Topological Polar Surface Area	160
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	667

SMILES

CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)C=O)O

InChI

InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3

InChIKey

QQTKVXCQLZIJPP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 521-39-1

CID: 5320418

Formula: C18H12O10

MW: 388.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	388.3
XLogP3	1.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	388.04304658
Monoisotopic Mass	388.04304658
Topological Polar Surface Area	160 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	667
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FR11870-01	Ribonucleic acid free acid
G-3600-01	D-Glucuronic acid, free acid
HXC53910	Acid-PEG2-SS-PEG2-acid
HXC88802-01	(3R) -3-Aminodecanoic acid, trifluoroacetic acid
YGA93275-01	Gambogenic acid
YEA13505-01	Uncaric acid
SEA02059-01	Anwuweizonic acid
SCA90519	Perfluorohexadecanoic acid
SAA99042-01	Oleanonic acid
RQB26022-01	Kadsuracoccinic acid A

Catalog	Name
MBS5796983	Salazinic Acid
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
L2500-01	Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005	Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)
MBS651473-01	Ambuic acid ((+)-Ambuic acid)
BIM1576-01	Okadaic acid, free acid