Valinomycin | CAS No. 2001-95-8

Valinomycin

Basic Information

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CAS Number

2001-95-8

Molecular Formula

C54H90N6O18

Molecular Weight

1111.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

186-190 °C

Boiling Point

821.74°C (rough estimate)

Water Solubility

Soluble in DMSO at 10mg/ml. Insoluble in water

Flash Point

87℃

Solubility

DMSO: ≥10 mg/mL

Refractive Index

1.6400 (estimate)

Specific Rotation

D20 +31.0° (c = 1.6 in benzene)

SMILES

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CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1

InChIKey

FCFNRCROJUBPLU-DNDCDFAISA-N

LogP

2.3433000000000073

Topological Polar Surface Area

332.4 Å²

Hydrogen Bond Donor/Acceptor

6 / 24

Complexity

1910

Safety Information

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GHS Hazard Pictograms

H300

H310

Hazard Statement

H300 Fatal if swallowed
Acute toxicity, oral

H310 Fatal in contact with skin
Acute toxicity, dermal

Hazard Class

Class 6.1(a) Class 6.1(a)

Synonyms & References

English

valino
balinomycin
AKOS024457589
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
NSC122023
UNII-N561YS75MN
HY-N6693
Q417504
IONOPHORE ANTIBIOTIC PRODUCED BY STREPTOMYCES FULVISSIMUS
DB14057
1,7,13,19,25,31-Hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane- 2,5,8,11,14,17,20,23,26,29,32,35-dodecone, 12,24,36-trimetyl-3,6,9,15,18,21,27,30,33-nonakis(1-methylethyl)-
NSC 122023
HSDB 6423
SR-05000002323-2
SR-05000002323
valinomycin
CCG-208283
BDBM50237619
CS-0029275
Potassium ionophore I - cocktail B, Selectophore(TM)
Antibiotic N-329 B
(3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
NSC-122023
EINECS 217-896-6
4-27-00-09728 (Beilstein Handbook Reference)
cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3
VALINOMYCIN [MI]
Cyclo(D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-?-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)
Cyclic(D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-.alpha.-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl )
DTXSID9041150
CYCLIC(D-.ALPHA.-HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL- D-.ALPHA.-HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL-D-.ALPHA.- HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL)