Basic Information | Post buying leads | Suppliers |
Name |
Ono-4007 (free acid) |
EINECS | N/A |
CAS No. | 111250-67-0 | Density | N/A |
PSA | 206.20000 | LogP | 10.57920 |
Solubility | N/A | Melting Point |
N/A |
Formula | C50H79NO12S | Boiling Point | N/A |
Molecular Weight | 918.23 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
D-Glucose,2-deoxy-2-[[1-oxo-3-[(1-oxo-9-phenylnonyl)oxy]tetradecyl]amino]-,3-benzenenonanoate 4-(hydrogen sulfate), (S)-; |
This chemical is called Ono-4007 (free acid), and it can also be named as 2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose. With the molecular formula of C50H79NO12S, its molecular weight is 918.23. The CAS registry number of this chemical is 111250-67-0.
Other characteristics of the Ono-4007 (free acid) can be summarised as followings: (1)ACD/LogP: 14.35; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): 10.85; (4)ACD/LogD (pH 7.4): 10.85; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 483098.59; (8)ACD/KOC (pH 7.4): 483064.13; (9)#H bond acceptors: 13; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 40; (12)Polar Surface Area: 172.58 Å2.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C50H79NO12S.Na/c1-2-3-4-5-6-7-8-15-26-35-42(60-45(54)36-27-16-11-9-13-20-29-40-31-22-18-23-32-40)38-44(53)51-47-49(48(63-64(57,58)59)43(39-52)61-50(47)56)62-46(55)37-28-17-12-10-14-21-30-41-33-24-19-25-34-41;/h18-19,22-25,31-34,42-43,47-50,52,56H,2-17,20-21,26-30,35-39H2,1H3,(H,51,53)(H,57,58,59);/q;+1/p-1/t42-,43+,47+,48+,49+,50?;/m0./s1
2.InChIKey: KSLCVWMGAOQHEA-UPNQWCNMBQ