DMDNA31

CAT: 0926-VIB62544-03Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-VIB62544-03Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

845625-44-7

Smiles

C1CC (CCC1=O) (C#N) C2=CC (=C (C=C2) F) C (F) (F) F

Molecular Formula

C50H62N4O13

Molecular Weight

927 g/mol

Controlled

Chemical Information

Dmdna31

CAS Number	845625-44-7
PubChem CID	135428074
IUPAC Name	[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-30-[4-(dimethylamino)piperidin-1-yl]-2,6,15,17-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-23,32,37-trioxo-8,27,38-trioxa-24,34-diazahexacyclo[23.11.1.14,7.05,36.026,35.028,33]octatriaconta-1,3,5,9,19,21,25,28,30,33,35-undecaen-13-yl] acetate
Molecular Formula	C50H62N4O13
Molecular Weight	927.0
XLogP	3.3
Topological Polar Surface Area	226
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	5
Heavy Atom Count	67
Formal Charge	0
Complexity	2490

SMILES

C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C([C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCC(CC7)N(C)C)O3)/C

InChI

InChI=1S/C50H62N4O13/c1-23-13-12-14-24(2)49(62)52-40-44(60)36-35(39-47(40)66-34-22-31(21-32(56)38(34)51-39)54-18-15-30(16-19-54)53(9)10)37-46(28(6)43(36)59)67-50(8,48(37)61)64-20-17-33(63-11)25(3)45(65-29(7)55)27(5)42(58)26(4)41(23)57/h12-14,17,20-23,25-27,30,33,41-42,45,57-59,61H,15-16,18-19H2,1-11H3,(H,52,62)/b13-12+,20-17+,24-14-/t23-,25+,26+,27+,33-,41-,42+,45+,50-/m0/s1

InChIKey

GBSDCXVMKJSZDN-AWHPPKCISA-N

Chemical Structure

2D Structure

CAS: 845625-44-7

CID: 135428074

Formula: C50H62N4O13

MW: 927.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	927.0
XLogP3	3.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	16
Rotatable Bond Count	5
Exact Mass	926.43133805
Monoisotopic Mass	926.43133805
Topological Polar Surface Area	226 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	2490
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS3842933-01	dmDNA31
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A18469-25	DmDNA31 25mg
A18469-5	DmDNA31 5mg
A18469-1	DmDNA31 1mg

DMDNA31

Chemical Information

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