Boc-D-Pyroglutaminol

CAT: 0127-OR1074494-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1074494-01Size:250 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

128811-37-0

MDL Number

MFCD12911763

Purity

97%

Smiles

O=C1CC[C@H](CO)N1C(OC(C)(C)C)=O

Chemical Information

Boc-D-Pyroglutaminol

CAS Number	128811-37-0
PubChem CID	13195227
IUPAC Name	tert-butyl (2R)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate
Molecular Formula	C10H17NO4
Molecular Weight	215.25
XLogP	0.3
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	269

SMILES

CC(C)(C)OC(=O)N1[C@H](CCC1=O)CO

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m1/s1

InChIKey

NYYVBJAPYGKIEN-SSDOTTSWSA-N

Chemical Structure

2D Structure

CAS: 128811-37-0

CID: 13195227

Formula: C10H17NO4

MW: 215.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.25
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	215.11575802
Monoisotopic Mass	215.11575802
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	269
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