Pangamic Acid

CAT: 1596-AR-V06139-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06139-01Size:10 Units

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CAS Number

20858-86-0

Synonyms

Vitamin B15; 6- (2-Dimethylamino-acetoxy) -2,3,4,5-tetrahydroxy-hexanoic Acid; Pangamate; Vitamin B15; d-Gluconodimethylamino Acetic Acid

Molecular Formula

C10H19NO8

Molecular Weight

281.26

API Name

Vitamin B15

Chemical Information

Pangamic acid

pangamic acid has been reported in Cicer arietinum with data available.

CAS Number	20858-86-0
PubChem CID	45934203
IUPAC Name	(2R,3S,4R,5R)-6-[2-(dimethylamino)acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
Molecular Formula	C10H19NO8
Molecular Weight	281.26
XLogP	-5
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Heavy Atom Count	19
Formal Charge	0
Complexity	308

SMILES

CN(C)CC(=O)OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O

InChI

InChI=1S/C10H19NO8/c1-11(2)3-6(13)19-4-5(12)7(14)8(15)9(16)10(17)18/h5,7-9,12,14-16H,3-4H2,1-2H3,(H,17,18)/t5-,7-,8+,9-/m1/s1

InChIKey

ZQTHOIGMSJMBLM-BUJSFMDZSA-N

Chemical Structure

2D Structure

CAS: 20858-86-0

CID: 45934203

Formula: C10H19NO8

MW: 281.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.26
XLogP3	-5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	281.11106656
Monoisotopic Mass	281.11106656
Topological Polar Surface Area	148 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-P03267-01	Pyrazinoic Acid (Pyrazinecarboxylic Acid)
AR-H01202-01	Hydroquinonesulfonic Acid (Dobesilic Acid)
AR-A05406-01	Acetic Acid Isobutyric Acid Anhydride
AR-A05407-01	Acetic Acid Butyric Acid Anhydride
AR-F09711-01	Docosanoic Acid-d3 (Behenic Acid-d3)
AR-F09706-01	Dodecanoic Acid-d2 (Lauric Acid-d2)
AR-E09459-01	9 (Z) -Eicosenoic Acid (Gadoleic Acid)
AR-P03268-01	Pyrazinoic Acid-d3 (Pyrazinecarboxylic Acid-d3)
AR-M01254-01	Mefenamic Acid Impurity D (Benzoic Acid)
AR-F09712-01	Docosanoic Acid-d4 (Behenic Acid-d4)

Catalog	Name
JH920200	Pangamic acid sodium salt
286657-01	Pangamic acid calcium salt discontinued
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)
MBS641082-01	Lipoic Acid (Thioctic Acid, Alpha Lipoic Acid)
O8099-01	Oxalacetic Acid (Oxaloacetic acid)
275335-01	Ethylenediaminediacetic acid dipropionic acid
MBS6036559-01	a-Lipoic Acid (Thioctic Acid)