Nitrate Ionophore VI

CAT: 0572-TRC-H457520-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-H457520-100MGSize:100 mg

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

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CAS Number

1196157-85-3

Hazard Statement

No Data Available

Smiles

O1NCCCNOCC(CONCCCNOCCC1)CCCCCCCCCCCCCCCC

Molecular Formula

C28H60N4O4

Molecular Weight

516.8

Chemical Information

Nitrate Ionophore VI

CAS Number	1196157-85-3
PubChem CID	71312396
IUPAC Name	9-hexadecyl-1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane
Molecular Formula	C28H60N4O4
Molecular Weight	516.8
XLogP	8.3
Topological Polar Surface Area	85
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Heavy Atom Count	36
Formal Charge	0
Complexity	401

SMILES

CCCCCCCCCCCCCCCCC1CONCCCNOCCCONCCCNOC1

InChI

InChI=1S/C28H60N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-26-35-31-22-16-20-29-33-24-18-25-34-30-21-17-23-32-36-27-28/h28-32H,2-27H2,1H3

InChIKey

NQESDIIOYWZCLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1196157-85-3

CID: 71312396

Formula: C28H60N4O4

MW: 516.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	516.8
XLogP3	8.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Exact Mass	516.46145641
Monoisotopic Mass	516.46145641
Topological Polar Surface Area	85 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	401
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
GW4832-100mg	Nitrate Ionophore VI
sc-228838	Nitrate Ionophore V
460795-01	Nitrate Ionophore V discontinued
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TBI2079-5MG	Ionomycin, Ca2+ ionophore
B6065-5	Calcium Ionophore I
HY-W674112-01	Magnesium ionophore I
T201134-01	Magnesium ionophore III