AG00EF40

58698-37-6 | 2-C-Methyl-D-erythritol

AG00EF40

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CAS Number	58698-37-6
Catalog Number	AG00EF40(AGN-PC-0OCS29)
Chemical Name	2-C-Methyl-D-erythritol
IUPAC Name	(2S,3R)-2-methylbutane-1,2,3,4-tetrol
InChI	InChI=1S/C5H12O4/c1-5(9,3-7)4(8)2-6/h4,6-9H,2-3H2,1H3/t4-,5+/m1/s1
InChI Key	HGVJFBSSLICXEM-UHNVWZDZSA-N
MDL Number	MFCD17215928
Molecular Formula	C5H12O4
Molecular Weight	136.1464
SMILES	C[C@](O)(CO)[C@H](O)CO
Synonyms	2-C-methylerythritol, 2-methylerythritol, 3-C-methylerythritol, 3-methylerythritol, 2-C-methyl-D-erythritol, 58698-37-6, 2-Methylerythritol, 2-methyl-d-erythritol, SCHEMBL346603, CTK1E9104, DTXSID70464635, HGVJFBSSLICXEM-UHNVWZDZSA-N, ZINC14590537, AKOS025287897, 2-C-Methyl-D-erythritol, >=90% (GC), (2S,3R)-2-Methylbutane-1,2,3,4-tetrol, (2S,3R)-2-Methyl-1,2,3,4-tetrahydroxybutane, 1,2,3,4-Butanetetrol, 2-methyl-, (2S,3R)-, CID11400799,

Complexity	85
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	136.074g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	136.147g/mol
Monoisotopic Mass	136.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	80.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number