deoxy-BIGCHAP
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deoxy-BIGCHAP
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CAS No:
86303-23-3
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Formula:
C42H75N3O15
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Chemical Name:
deoxy-BIGCHAP
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Synonyms:
D-Gluconamide,N,N′-[[[(3α,5β,12α)-3,12-dihydroxy-24-oxocholan-24-yl]imino]di-3,1-propanediyl]bis-;Cholane,D-gluconamide deriv.;N,N′-[[[(3α,5β,12α)-3,12-Dihydroxy-24-oxocholan-24-yl]imino]di-3,1-propanediyl]bis[D-gluconamide];N,N′-Bis(3-D-gluconamidopropyl)deoxycholamide;deoxy-BIGCHAP;105496-19-3
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CAS No:
Characteristics
321
-3.11
1.3±0.1 g/cm3
89-91°C
1161.5±65.0 °C at 760 mmHg
656.2±34.3 °C
1.590
soluble in water at 50mg/ml. Also soluble in DMSO or methanol.
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38-48/20/22-22-46-45
26-36-45-36/37/39-27-53
Xi,T
Moisture, Temperature Sensitive
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:862.1
XLogP3:-2.1
Hydrogen Bond Donor Count:14
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:22
Exact Mass:861.51981869
Monoisotopic Mass:861.51981869
Topological Polar Surface Area:321
Heavy Atom Count:60
Complexity:1350
Defined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes