2-C-Methyl-D-erythritol

CAT: 0127-OR1075509Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1075509Size:5 mg

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CAS Number

58698-37-6

MDL Number

MFCD17215928

Purity

98%

Smiles

OC[C@@H](O)[C@@](C)(O)CO

Chemical Information

2-C-Methyl-D-erythritol

2-C-methyl-D-erythritol has been reported in Liriodendron tulipifera with data available.

CAS Number	58698-37-6
PubChem CID	11400799
IUPAC Name	(2S,3R)-2-methylbutane-1,2,3,4-tetrol
Molecular Formula	C5H12O4
Molecular Weight	136.15
XLogP	-2.2
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

C[C@](CO)([C@@H](CO)O)O

InChI

InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m1/s1

InChIKey

HGVJFBSSLICXEM-UHNVWZDZSA-N

Chemical Structure

2D Structure

CAS: 58698-37-6

CID: 11400799

Formula: C5H12O4

MW: 136.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.15
XLogP3	-2.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	136.07355886
Monoisotopic Mass	136.07355886
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
OR14700-01	2-Methyl-D-phenylalanine
BICL2378-01	2-O-Methyl-D-glucopyranose
BIB6050-01	Meso-Erythritol
BUP17855-01	Meso-Erythritol
OR1011337-01	4,5-O-Isopropylidene-2-C-Methyl-D-Arabinonate
OR75171-01	1-Boc-2-methyl-D-proline
OR1042810-01	2-Methyl-5-phenylbenzo[d]oxazole
BICL2463-01	Methyl 2,3-anhydro-ß-D-ribopyranoside
OR28770-01	2-methyl-1H-benzo[d]imidazole
OR955736	Methyl benzo[d]thiazole-2-carboxylate

Catalog	Name
MBS5761078	2-C-Methyl-D-erythritol
HY-N9923	2-C-Methyl-D-erythritol 4-phosphate
MBS6078429-01	Methyl-D-erythritol Phosphate
sc-218831	Methyl-D-erythritol-d3 Phosphate
HY-W700989	Methyl-D-erythritol phosphate-d3 (disodium)
TRC-M304650-5MG	Methyl-D-erythritol Phosphate Disodium Salt
TRC-M304652-1MG	Methyl-D-erythritol-d3 Phosphate Disodium Salt
MBS1198380-01	Recombinant Salmonella paratyphi C 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (ispF)
MBS1007268-01	Recombinant Salmonella paratyphi C 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (ispE)
MBS1483095-01	Recombinant Clostridium difficile 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (ispF)