BCN-PNP carbonate

CAT: 0926-NAC16691-01Size: 0.025 gDry Ice: NoHazardous: No

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CAT#:0926-NAC16691-01Size:0.025 g

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CAS Number

1263166-91-1

MDL Number

MFCD19705415

Molecular Formula

C17H17NO5

Molecular Weight

315.32 g/mol

Controlled

Chemical Information

endo-BCN-O-PNB

CAS Number	1263166-91-1
PubChem CID	77078536
IUPAC Name	[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl (4-nitrophenyl) carbonate
Molecular Formula	C17H17NO5
Molecular Weight	315.32
XLogP	4.3
Topological Polar Surface Area	81.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	502

SMILES

C1C[C@@H]2[C@@H](C2COC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC#C1

InChI

InChI=1S/C17H17NO5/c19-17(23-13-9-7-12(8-10-13)18(20)21)22-11-16-14-5-3-1-2-4-6-15(14)16/h7-10,14-16H,3-6,11H2/t14-,15+,16?

InChIKey

QXNXOXMDBLHIDB-XYPWUTKMSA-N

Chemical Structure

2D Structure

CAS: 1263166-91-1

CID: 77078536

Formula: C17H17NO5

MW: 315.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.32
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	315.11067264
Monoisotopic Mass	315.11067264
Topological Polar Surface Area	81.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	502
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
IGC05526-01	Disialylnonasaccharide-β-PNP
IAD51227-01	BCN-PEG3-amine (endo)
HXC50185-01	Endo-BCN-PEG2-alcohol
BJC73797-01	Bis-PEG2-endo-BCN
CTC35619	BCN-endo-PEG4-SPA
FG33639-01	Guanidine carbonate
FS137481-01	Sevelamer carbonate
FP40730-01	Phenylguanidine carbonate
FP33438-01	Potassium carbonate
FC05888-01	Calcium carbonate

Catalog	Name
OR1034774-01	Exo-BCN-NHS carbonate
HY-W035129-01	Endo-BCN-NHS carbonate
BA2412-50	β-D-glucuronide-pNP-carbonate
TYD-01960-01	Mal-PEG1-PNP-carbonate
MBS5801165	beta-D-glucuronide-pNP-carbonate
BUP17573-01	SS-D-glucuronide-pNP-carbonate
4043-500mg	Exo-BCN-PNP, 500 mg
T88068-01	BCN-HS-PEG2-bis (PNP)
4043-100mg	Exo-BCN-PNP, 100 mg
MBS5779941	BCN-E-BCN