Methyl D-Pantothenate

CAT: 0926-ACA69278-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ACA69278-01Size:0.5 g

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CAS Number

50692-78-9

Synonyms

Methyl Pantothenate

MDL Number

MFCD29079105

Smiles

O=C (OC) CCNC (=O) C (O) C (C) (C) CO

Molecular Formula

C10H19NO5

Molecular Weight

233.26 g/mol

Controlled

Chemical Information

beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, methyl ester, (R)-

CAS Number	50692-78-9
PubChem CID	135189
IUPAC Name	methyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
Molecular Formula	C10H19NO5
Molecular Weight	233.26
XLogP	-0.7
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	252

SMILES

CC(C)(CO)[C@H](C(=O)NCCC(=O)OC)O

InChI

InChI=1S/C10H19NO5/c1-10(2,6-12)8(14)9(15)11-5-4-7(13)16-3/h8,12,14H,4-6H2,1-3H3,(H,11,15)/t8-/m0/s1

InChIKey

XUOLPZAHXIRZLN-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 50692-78-9

CID: 135189

Formula: C10H19NO5

MW: 233.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.26
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	233.12632271
Monoisotopic Mass	233.12632271
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
FC31364-01	D-Calcium pantothenate
OM168460-01	Methyl a-D-lactose
MM71932-01	Methyl β-D-maltopyranoside
MM06730-01	Methyl a-D-mannopyranoside
MM06684-01	Methyl β-D-ribopyranoside
MM04721-01	Methyl β-D-arabinopyranoside
MM03961-01	Methyl a-D-glucopyranoside
FM48612	A-Methyl-D-phenylalanine
FM14255-01	D-Methyl lactate
MM32004-01	Methyl a-D-altropyranoside

Catalog	Name
455888-01	Methyl D-Pantothenate
156345-01	α-Methyl -D- (+) -Glucoside (Methyl-α -D-Glucopyranoside)
445666-01	D-α-Methyl DOPA Methyl Ester
HY-N16995	Methyl-α-D-galactofuranoside
HY-W040294-01	Methyl α-D-glucoside
HY-117269-01	Methyl-D-galactoside
TSW-00227-01	Methyl D-galacturonate
M3416-77	Methyl a-D-Glucopyranoside
281843-01	D-Methyl lactate
297400-01	Methyl a-D-laminaribioside