Ono-4007 (free acid) supplier | CasNO.111250-67-0

Name
2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose
EINECS
CAS No. 111250-67-0
Density
Solubility
Melting Point
Formula C₅₀H₇₉NO₁₂S
Boiling Point
Molecular Weight 918.23
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-Glucose,2-deoxy-2-[[1-oxo-3-[(1-oxo-9-phenylnonyl)oxy]tetradecyl]amino]-,3-benzenenonanoate 4-(hydrogen sulfate), (S)-;
PSA 206.20000
LogP 10.57920

Ono-4007 (free acid) Specification

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

Product Name

2-Deoxy-3-O-(9-phenylnonanoyl)-2-[3(S)-(9-phenylnonanoyloxy)tetradecanamido]-4-O-sulfo-D-glucopyranose

Ono-4007 (free acid) Specification

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