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Home Other Building Blocks Dianemycin 1-sodium salt

Dianemycin 1-sodium salt

CAS No.:
65101-87-3
Catalog Number:
AG00ECGC
Molecular Formula:
C47H77NaO14
Molecular Weight:
889.0957
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$111
- +
2mg
98%
1 week
United States
$173
- +
5mg
98%
1 week
United States
$240
- +
10mg
98%
1 week
United States
$390
- +
50mg
98%
1 week
United States
$1057
- +
100mg
98%
1 week
United States
$1723
- +
Product Description
Catalog Number:
AG00ECGC
Chemical Name:
Dianemycin 1-sodium salt
CAS Number:
65101-87-3
Molecular Formula:
C47H77NaO14
Molecular Weight:
889.0957
MDL Number:
MFCD02874368
IUPAC Name:
sodium;(E,2S,4R,8S)-8-[(2S,5R,7S,8R,9R)-7-hydroxy-2-[(2R,4S,5S,7R,9S,10R)-2-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-9-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-4,10-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoate
InChI:
InChI=1S/C47H78O14.Na/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-31(8)34(49)22-45(59-41)16-15-44(11,61-45)38-21-36(56-39-14-13-35(54-12)33(10)55-39)32(9)47(58-38)30(7)20-37(57-47)42-27(4)19-29(6)46(53,23-48)60-42;/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52);/q;+1/p-1/b24-17+;/t25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,41-,42+,44+,45-,46+,47+;/m1./s1
InChI Key:
XMAIRYYXDCNFKP-SEDNIUBGSA-M
SMILES:
OCC1(O)OC(C(CC1C)C)C1CC(C2(O1)OC(CC(C2C)OC1CCC(C(O1)C)OC)C1(C)CCC2(O1)CC(O)C(C(O2)C(C=C(C(=O)C(CC(C(=O)[O-])C)C)C)C)C)C.[Na+]
Properties
Complexity:
1580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
21  
Defined Bond Stereocenter Count:
1  
Exact Mass:
888.521g/mol
Formal Charge:
0
Heavy Atom Count:
62  
Hydrogen Bond Acceptor Count:
14  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
889.109g/mol
Monoisotopic Mass:
888.521g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
The biosynthesis of the polyether antibiotic nanchangmycin is controlled by two pathway-specific transcriptional activators. Archives of microbiology 20120601
Essential role of the donor acyl carrier protein in stereoselective chain translocation to a fully reducing module of the nanchangmycin polyketide synthase. Biochemistry 20120131
Mechanism and stereospecificity of a fully saturating polyketide synthase module: nanchangmycin synthase module 2 and its dehydratase domain. Journal of the American Chemical Society 20101027
'Streptomyces nanchangensis', a producer of the insecticidal polyether antibiotic nanchangmycin and the antiparasitic macrolide meilingmycin, contains multiple polyketide gene clusters. Microbiology (Reading, England) 20020201
Properties