Boc-D-Chg-OH 100g

CAT: 0628-A23661-100000Size: 100000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23661-100000Size:100000 mg

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CAS Number

70491-05-3

Chemical Information

(2R)-2-(((tert-butoxy)carbonyl)amino)-2-cyclohexylacetic acid

CAS Number	70491-05-3
PubChem CID	7014890
IUPAC Name	(2R)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Molecular Formula	C13H23NO4
Molecular Weight	257.33
XLogP	2.9
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	18
Formal Charge	0
Complexity	303

SMILES

CC(C)(C)OC(=O)N[C@H](C1CCCCC1)C(=O)O

InChI

InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1

InChIKey

QSUXZIPXYDQFCX-SNVBAGLBSA-N

Chemical Structure

2D Structure

CAS: 70491-05-3

CID: 7014890

Formula: C13H23NO4

MW: 257.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.33
XLogP3	2.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	257.16270821
Monoisotopic Mass	257.16270821
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	303
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
CS-O-42123-100G	Chloroform-D stabilized-100g Pack
DE40M-01	Chloroform-D >99.80 Atom % D 100g bottle
DE40M2-01	Chloroform-D >99.80 Atom % D 1% TMS 100g bottle
DE50K-01	Deuterium oxide >99.9 Atom % D - 100g bottle
DE40M1-01	Chloroform-D >99.80 Atom % D 0.03% TMS 100g bottle
DE50L	Deuterium oxide >99.9 Atom % D 100g septum vial
CS-O-42121-100G	Chloroform-D with 0.03 v/v% TMS stabilized-100g Pack
5-04676	Boc-D-Chg-OH
HY-W701588	Boc-D-Chg-OH-d11
443194-01	Boc-d-chg-oh dcha