CAS RN: 116355-83-0
FUMONISIN B1
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock6 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260604 | 1ml | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260103 | 1.2ml | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250504 | 1ml | In stock | Shanghai | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260130 | 1ml | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS116355-83-0
- Purity/Analytical Methods: >99.0%
116355-83-0 / (2R)-2-[2-[(5R,6R,7S,9S,11R,16R,18S,19S)-19-amino-6-[(3R)-3,4-dicarboxybutanoyl]oxy-11,16,18-trihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid
DTXSID80861237 | 2,2'-((19-Amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl)bis(oxy(2-oxoethane-2,1-diyl)))dibutanedioic acid | 2,2'-{(19-Amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl)bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
Basic Information
CAS
116355-83-0
Multi CAS
Yes
Molecular Formula
C34H59NO15
Molecular Weight
721.800000
Exact Mass
721.388470
SMILES
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O
InChI
InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1
InChIKey
UVBUBMSSQKOIBE-DSLOAKGESA-N
Synonyms
DTXSID80861237
2,2'-((19-Amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl)bis(oxy(2-oxoethane-2,1-diyl)))dibutanedioic acid
2,2'-{(19-Amino-11,16,18-trihydroxy-5,9-dimethylicosane-6,7-diyl)bis[oxy(2-oxoethane-2,1-diyl)]}dibutanedioic acid
RefChem:1058840
DTXCID20209053
Physical Properties
Physical Description
White hygroscopic solid; [HSDB] Light brownish-yellow solid
Appearance
Powder
State
Solid
Storage Conditions
PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/
Computed Properties
Structural Parameters
Heavy atom count
50
Fraction Csp3
0.82
Rotatable bonds
29
H-bond acceptors
12
H-bond donors
8
Molar refractivity
177.59
TPSA
288.51
LogP / Solubility
WLOGP
2.56
MLOGP
2.32
XLogP3
-0.5
Consensus LogP
1.46
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.96
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.3
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
Safety & Transport
Pictogram(s)
Health Hazard
Signal
Warning
GHS Hazard Statements
H351 (97.8%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P280, P318, P405, and P501
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