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Sennidin B 10mg

CAT: 0628-A14836-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A14836-10Size:10 mg
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CAS Number
517-44-2

Chemical Information

Sennidin B

Sennidin B is a member of anthracenes.

CAS Number517-44-2
PubChem CID10459879
IUPAC Name(9S)-9-[(9R)-2-carboxy-4,5-dihydroxy-10-oxo-9H-anthracen-9-yl]-4,5-dihydroxy-10-oxo-9H-anthracene-2-carboxylic acid
Molecular FormulaC30H18O10
Molecular Weight538.5
XLogP4.8
Topological Polar Surface Area190
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity977
SMILES
C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O
InChI
InChI=1S/C30H18O10/c31-17-5-1-3-13-21(15-7-11(29(37)38)9-19(33)25(15)27(35)23(13)17)22-14-4-2-6-18(32)24(14)28(36)26-16(22)8-12(30(39)40)10-20(26)34/h1-10,21-22,31-34H,(H,37,38)(H,39,40)/t21-,22+
InChIKey
JPMRHWLJLNKRTJ-SZPZYZBQSA-N
Chemical Structure
2D Structure
2D structure of Sennidin B
CAS: 517-44-2
CID: 10459879
Formula: C30H18O10
MW: 538.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.5
XLogP34.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass538.08999677
Monoisotopic Mass538.08999677
Topological Polar Surface Area190 Ų
Heavy Atom Count40
Formal Charge0
Complexity977
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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