Spm viii

CAT: 0931-T26210-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T26210-02Size:25 mg

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CAS Number

133397-76-9

Target

Others, Antibiotic

Related Pathways

Microbiology/Virology, Others

Bioactivity

Spm viii is a derivative of the nucleoside antibiotic spicamycin that has antitumor activity.

Smiles

N(C1=C2C(=NC=N1)N=CN2)[C@H]3O[C@@]([C@H](CO)O)([C@H](NC(CNC(CCCCCCCCCCC)=O)=O)[C@@H](O)[C@H]3O)[H]

Molecular Formula

C26H43N7O7

Molecular Weight

565.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Spm viii

a spicamycin derivative; structure given in first source

CAS Number	133397-76-9
PubChem CID	188408
IUPAC Name	N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]dodecanamide
Molecular Formula	C26H43N7O7
Molecular Weight	565.7
XLogP	2.2
Topological Polar Surface Area	215
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	17
Heavy Atom Count	40
Formal Charge	0
Complexity	767

SMILES

CCCCCCCCCCCC(=O)NCC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1[C@H](CO)O)NC2=NC=NC3=C2NC=N3)O)O

InChI

InChI=1S/C26H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-17(36)27-12-18(37)32-19-21(38)22(39)26(40-23(19)16(35)13-34)33-25-20-24(29-14-28-20)30-15-31-25/h14-16,19,21-23,26,34-35,38-39H,2-13H2,1H3,(H,27,36)(H,32,37)(H2,28,29,30,31,33)/t16-,19+,21+,22+,23-,26-/m0/s1

InChIKey

HDMNSQOXYJWIGC-PMJLLAAGSA-N

Chemical Structure

2D Structure

CAS: 133397-76-9

CID: 188408

Formula: C26H43N7O7

MW: 565.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	565.7
XLogP3	2.2
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	17
Exact Mass	565.32239674
Monoisotopic Mass	565.32239674
Topological Polar Surface Area	215 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	767
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
039-08	Leucokinin VIII (L-VIII)
367449	Factor VIII (Complement Factor VIII) discontinued
HY-E70575	Endonuclease VIII
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HY-P1496	Leucokinin VIII
HY-N13487	Karaviloside VIII
311798	Copine VIII
400177-01	Factor VIII
MBS5802072	Tunicamycin VIII
NEB M0545S	Exonuclease VIII

Spm viii

Chemical Information

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