α-Hydroxymethyl-L-tyrosine

CAT: 0024-sc-490402Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-490402Size:10 mg

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CAS Number

69980-45-6

Chemical Information

alpha-(Hydroxymethyl)-L-tyrosine

CAS Number	69980-45-6
PubChem CID	14013716
IUPAC Name	(2R)-2-amino-2-(hydroxymethyl)-3-(4-hydroxyphenyl)propanoic acid
Molecular Formula	C10H13NO4
Molecular Weight	211.21
XLogP	-2.6
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	225

SMILES

C1=CC(=CC=C1C[C@@](CO)(C(=O)O)N)O

InChI

InChI=1S/C10H13NO4/c11-10(6-12,9(14)15)5-7-1-3-8(13)4-2-7/h1-4,12-13H,5-6,11H2,(H,14,15)/t10-/m1/s1

InChIKey

KQAABALABGCGPM-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 69980-45-6

CID: 14013716

Formula: C10H13NO4

MW: 211.21

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	211.21
XLogP3	-2.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	211.08445790
Monoisotopic Mass	211.08445790
Topological Polar Surface Area	104 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	225
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
167179	α-Hydroxymethyl-L-tyrosine
TRC-H825490-500MG	alpha-Hydroxymethyl-L-tyrosine
167178	α-Hydroxymethyl-D-tyrosine
TRC-H825495-500MG	alpha-Hydroxymethyl-D-tyrosine
FT16024-01	L-Tyrosine