β-D-Thiogalactose sodium

CAT: 0926-MT03276-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-MT03276-01Size:250 mg

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CAS Number

42891-22-5

MDL Number

MFCD00064091

Smiles

C ([C@@H]1[C@@H] ([C@@H] ([C@H] ([C@@H] (O1) [S-]) O) O) O) O.[Na+]

Molecular Formula

C6H11NaO5S

Molecular Weight

218.2 g/mol

Controlled

Chemical Information

Sodium (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-thiolate

See also: beta-d-galactopyranose, 1-thio-, monosodium salt (annotation moved to).

CAS Number	42891-22-5
PubChem CID	69113132
IUPAC Name	sodium (2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-thiolate
Molecular Formula	C6H11NaO5S
Molecular Weight	218.21
Topological Polar Surface Area	91.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	160

SMILES

C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)[S-])O)O)O)O.[Na+]

InChI

InChI=1S/C6H12O5S.Na/c7-1-2-3(8)4(9)5(10)6(12)11-2;/h2-10,12H,1H2;/q;+1/p-1/t2-,3+,4+,5-,6+;/m1./s1

InChIKey

VKPBZIVFRYLHPT-QEQWBAOXSA-M

Chemical Structure

2D Structure

CAS: 42891-22-5

CID: 69113132

Formula: C6H11NaO5S

MW: 218.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.21
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	218.02248890
Monoisotopic Mass	218.02248890
Topological Polar Surface Area	91.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
MT10923-01	B-D-Thiogalactose
KCA97968-01	Sodium D-pantoate
FS145290-01	D-isoascorbiate sodium
MT08809-01	α-D-Thiomannose sodium
FS177488-01	Sodium formate-d
IP176593-01	Pseudomonic acid D sodium
IO63797-01	Olsalazine sodium impurity D
HAA33333-01	UDP-β-D-glucose sodium
FL08609-01	D-Luciferin sodium salt
MF16377-01	Formononetin-β-D-glucuronide sodium

Catalog	Name
294685-01	B-D-Thiogalactose sodium salt
MBS3612926-01	D-Luciferin Sodium
TRC-S629002-10MG	Sodium Formate-d
TRC-E553251-2.5MG	Eprodisate-D₆ Sodium
TRC-S634000-100G	Sodium D-Gluconate
sc-236900B	Sodium D-lactate
C17634-100mg	D-Pantothenate Sodium
OR1015024-01	Sodium D-Pantothenate
OR1013092-01	D-Sodium glucoheptonate
294971-01	B-D-Thiogalactose