Pumiloside

CAT: 0127-BUP00352-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP00352-03Size:10 mg

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CAS Number

126722-26-7

Synonyms

(3S) -Pumiloside

Purity

=98%

Smiles

O=C1N2[C@](C3=C(C2)C(=O)C=4C(N3)=CC=CC4)(C[C@@]5(C1=CO[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5C=C)[H])[H]

Chemical Information

Pumiloside

Pumiloside is a glycoside.

CAS Number	126722-26-7
PubChem CID	10346314
IUPAC Name	(1S,18S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2(11),4,6,8,15-pentaene-10,14-dione
Molecular Formula	C26H28N2O9
Molecular Weight	512.5
XLogP	-0.6
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	37
Formal Charge	0
Complexity	1040

SMILES

C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CN3C(=O)C2=CO[C@H]1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C(=O)C6=CC=CC=C6N4

InChI

InChI=1S/C26H28N2O9/c1-2-11-13-7-17-19-14(20(30)12-5-3-4-6-16(12)27-19)8-28(17)24(34)15(13)10-35-25(11)37-26-23(33)22(32)21(31)18(9-29)36-26/h2-6,10-11,13,17-18,21-23,25-26,29,31-33H,1,7-9H2,(H,27,30)/t11-,13+,17+,18-,21-,22+,23-,25+,26+/m1/s1

InChIKey

ODQBQUXGRYBRTP-FWMZWJSFSA-N

Chemical Structure

2D Structure

CAS: 126722-26-7

CID: 10346314

Formula: C26H28N2O9

MW: 512.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	512.5
XLogP3	-0.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	512.17948047
Monoisotopic Mass	512.17948047
Topological Polar Surface Area	158 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1040
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N11711-01	Pumiloside

Pumiloside

Chemical Information

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