Docetaxel Related Compound 2

CAT: 1596-AR-D02039-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D02039-01Size:10 Units

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CAS Number

145514-62-1

Synonyms

(2R,3S) -3- ((tert-butoxycarbonyl) amino) -2-hydroxy-3-phenylpropanoic acid; N-Boc- (2R,3R) -3-amino-2-hydroxy-3-phenylpropionic acid

Molecular Formula

C14H19NO5

Molecular Weight

281.31

API Name

Docetaxel

Chemical Information

(2R,3S)-boc-3-Phenylisoserine

CAS Number	145514-62-1
PubChem CID	7010687
IUPAC Name	(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
Molecular Formula	C14H19NO5
Molecular Weight	281.30
XLogP	1.4
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	344

SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O)O

InChI

InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-10(11(16)12(17)18)9-7-5-4-6-8-9/h4-8,10-11,16H,1-3H3,(H,15,19)(H,17,18)/t10-,11+/m0/s1

InChIKey

ZVAFCKLQJCZGAP-WDEREUQCSA-N

Chemical Structure

2D Structure

CAS: 145514-62-1

CID: 7010687

Formula: C14H19NO5

MW: 281.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.30
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	281.12632271
Monoisotopic Mass	281.12632271
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	344
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
AR-D02040-01	Docetaxel Related Compound 3
AR-D02038-01	Docetaxel Related Compound 1 HCl
AR-L06791-01	Lercanidipine Related Compound 2
AR-L06451-01	Lafutidine Related Compound 2
AR-G01238-01	Gemifloxacin Related Compound 2
AR-E02275-01	Exemestane Related Compound 2
AR-D06980-01	DCU Related Compound 2
AR-C08690-01	Cycloserine Related Compound 2
AR-C08964-01	Cytidine Related Compound 2
AR-T05044-01	Tiabendazole Related Compound 2

Catalog	Name
CS-EG-03533	Tramadol Related Compound A
LBA32143-01	Naphazoline Related Compound A
KCA72991-01	Trimethoprim Related Compound A
IH181667-01	Hyoscyamine related compound A
FCA19889-01	Clonazepam related compound A
GAA53882-01	Levocarnitine Related Compound A
GAA34172-01	Flurbiprofen Related Compound A
ABA45153-01	Felbamate Related Compound A
CS-CY-00056	Travoprost Related Compound A
CS-O-14111	Tranylcypromine Related Compound A