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PNU-159682

CAT: 0607-BA2325-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2325-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
202350-68-3
Form
A solid
Molecular Formula
C32H35NO13
Molecular Weight
641.62
Shipping Conditions
Blue ice
Storage Conditions
4°C.

Chemical Information

Pnu-159682
CAS Number202350-68-3
PubChem CID9874188
IUPAC Name(7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-7-[[(2S,4R,6S,7S,9R,10S)-10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione
Molecular FormulaC32H35NO13
Molecular Weight641.6
XLogP2.4
Topological Polar Surface Area191
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count46
Formal Charge0
Complexity1200
SMILES
C[C@H]1[C@@H]2[C@H](C[C@@H](O1)O[C@H]3C[C@@](CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)CO)O)N7CCO[C@@H]([C@H]7O2)OC
InChI
InChI=1S/C32H35NO13/c1-13-29-16(33-7-8-43-31(42-3)30(33)46-29)9-20(44-13)45-18-11-32(40,19(35)12-34)10-15-22(18)28(39)24-23(26(15)37)25(36)14-5-4-6-17(41-2)21(14)27(24)38/h4-6,13,16,18,20,29-31,34,37,39-40H,7-12H2,1-3H3/t13-,16-,18-,20-,29+,30+,31-,32-/m0/s1
InChIKey
SLURUCSFDHKXFR-WWMWMSKMSA-N
Chemical Structure
2D Structure
2D structure of Pnu-159682
CAS: 202350-68-3
CID: 9874188
Formula: C32H35NO13
MW: 641.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight641.6
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass641.21084017
Monoisotopic Mass641.21084017
Topological Polar Surface Area191 Ų
Heavy Atom Count46
Formal Charge0
Complexity1200
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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