Condelphine

CAT: 0926-FC65929-04Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FC65929-04Size:250 mg

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CAS Number

7633-69-4

MDL Number

MFCD00075849

Smiles

CCN1C[C@@]2 (CC[C@@H] ([C@@]34[C@@H]2C[C@@H] (C31) [C@]5 (C[C@@H] ([C@H]6C[C@@H]4[C@@H]5[C@H]6OC (=O) C) OC) O) O) COC

Molecular Formula

C25H39NO6

Molecular Weight

449.58 g/mol

Controlled

Chemical Information

Condelphine

CAS Number	7633-69-4
PubChem CID	118701197
IUPAC Name	[(1S,2R,3R,4S,5R,6S,8S,13S,16S,17R)-11-ethyl-8,16-dihydroxy-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
Molecular Formula	C25H39NO6
Molecular Weight	449.6
XLogP	1
Topological Polar Surface Area	88.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	807

SMILES

CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2CC(C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)O)COC

InChI

InChI=1S/C25H39NO6/c1-5-26-11-23(12-30-3)7-6-19(28)25-15-8-14-17(31-4)10-24(29,16(22(25)26)9-18(23)25)20(15)21(14)32-13(2)27/h14-22,28-29H,5-12H2,1-4H3/t14-,15-,16?,17+,18-,19+,20-,21+,22?,23+,24+,25-/m1/s1

InChIKey

ZEBMMHUDQRRILP-WHIDKXMRSA-N

Chemical Structure

2D Structure

CAS: 7633-69-4

CID: 118701197

Formula: C25H39NO6

MW: 449.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	449.6
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	449.27773796
Monoisotopic Mass	449.27773796
Topological Polar Surface Area	88.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	807
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
sc-252625	Condelphine

Condelphine

Chemical Information

Alternative Products

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