Laidlomycin

CAT: 0926-AL170619-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-AL170619-02Size:10 mg

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CAS Number

56283-74-0

Smiles

CCC (=O) O[C@H] ([C@H] (C) [C@@H]1[C@@H] ([C@H] (C[C@@]2 (O1) CC[C@@] (O2) (C) [C@H]3CC[C@@] (O3) (C) [C@H]4[C@H] (C[C@@H] (O4) [C@@H]5[C@H] (C[C@H] ([C@@] (O5) (CO) O) C) C) C) O) C) [C@H] (C) C (=O) O

Molecular Formula

C37H62O12

Molecular Weight

698.88 g/mol

Controlled

Chemical Information

Laidlomycin

laidlomycin has been reported in Streptomyces with data available.

CAS Number	56283-74-0
PubChem CID	71454116
IUPAC Name	(2S,3R,4R)-4-[(2S,5R,7S,8R,9S)-7-hydroxy-2-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-2-methyl-3-propanoyloxypentanoic acid
Molecular Formula	C37H62O12
Molecular Weight	698.9
XLogP	4.1
Topological Polar Surface Area	170
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Heavy Atom Count	49
Formal Charge	0
Complexity	1200

SMILES

CCC(=O)O[C@H]([C@H](C)[C@@H]1[C@@H]([C@H](C[C@@]2(O1)CC[C@@](O2)(C)[C@H]3CC[C@@](O3)(C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)O)C)C)C)O)C)[C@H](C)C(=O)O

InChI

InChI=1S/C37H62O12/c1-10-28(40)45-30(24(7)33(41)42)23(6)31-22(5)25(39)17-36(47-31)14-13-34(8,49-36)27-11-12-35(9,46-27)32-20(3)16-26(44-32)29-19(2)15-21(4)37(43,18-38)48-29/h19-27,29-32,38-39,43H,10-18H2,1-9H3,(H,41,42)/t19-,20-,21+,22+,23-,24-,25-,26+,27+,29-,30+,31-,32+,34-,35-,36+,37-/m0/s1

InChIKey

ZNBNBTIDJSKEAM-NISBWGIBSA-N

Chemical Structure

2D Structure

CAS: 56283-74-0

CID: 71454116

Formula: C37H62O12

MW: 698.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	698.9
XLogP3	4.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Exact Mass	698.42412741
Monoisotopic Mass	698.42412741
Topological Polar Surface Area	170 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	17
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
T25602-01	Laidlomycin
MBS5775327	Laidlomycin phenylcarbamate
MBS5782106	Laidlomycin butyrate
AR-L08185-01	Laidlomycin (90%)
GTR19193983	Laidlomycin propionate
GTR19193982	Laidlomycin propionate potassium
HY-135102	Laidlomycin propionate (potassium)

Laidlomycin

Chemical Information

Alternative Products

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