Aspidostomide C

CAT: 0926-KPC04662-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-KPC04662-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

1610046-62-2

Smiles

C1=CC (=C (C2=C1NC (=C2Br) C (=O) NCC (C3=CC (=C (C (=C3) Br) O) Br) O) Br) Br

Molecular Formula

C17H11Br5N2O3

Molecular Weight

690.8 g/mol

Controlled

Chemical Information

aspidostomide C

CAS Number	1610046-62-2
PubChem CID	101879274
IUPAC Name	3,4,5-tribromo-N-[(2S)-2-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxyethyl]-1H-indole-2-carboxamide
Molecular Formula	C17H11Br5N2O3
Molecular Weight	690.8
XLogP	5.6
Topological Polar Surface Area	85.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	533

SMILES

C1=CC(=C(C2=C1NC(=C2Br)C(=O)NC[C@H](C3=CC(=C(C(=C3)Br)O)Br)O)Br)Br

InChI

InChI=1S/C17H11Br5N2O3/c18-7-1-2-10-12(13(7)21)14(22)15(24-10)17(27)23-5-11(25)6-3-8(19)16(26)9(20)4-6/h1-4,11,24-26H,5H2,(H,23,27)/t11-/m1/s1

InChIKey

IZXKDVRAZUASKN-LLVKDONJSA-N

Chemical Structure

2D Structure

CAS: 1610046-62-2

CID: 101879274

Formula: C17H11Br5N2O3

MW: 690.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	690.8
XLogP3	5.6
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	689.66456
Monoisotopic Mass	685.66866
Topological Polar Surface Area	85.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	533
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
KPC04664-01	Aspidostomide E
KPC04663-01	Aspidostomide D
KPC04661-01	Aspidostomide B
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
ZHA33135-01	Dehydroglyasperin C
YEA70294-01	Kuwanol C
PJB76361-01	Gnetucleistol C
PHA35115-01	Corchoionol C