[(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-diphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methoxyphosphonic acid is a complex organic compound with a highly structured arrangement of atoms, featuring functional groups such as hydroxyl, phosphate, and acetyloxymethyl. It is composed of phosphoric acid, a 6-aminopurine derivative, and a sugar-like molecule, making it a potent inhibitor of enzymes involved in nucleic acid synthesis.
149091-93-0
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Basic information
- Product Name: [(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-y l]methoxyphosphonic acid
- Synonyms: [(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-y l]methoxyphosphonic acid;adenophostin B
- CAS NO:149091-93-0
- Molecular Formula: C18H28N5O19P3
- Molecular Weight: 711.358303
- EINECS: N/A
- Product Categories: N/A
- Mol File: 149091-93-0.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 1130.7°Cat760mmHg
- Flash Point: 637.6°C
- Appearance: /
- Density: 2.35g/cm3
- Vapor Pressure: 0mmHg at 25°C
- Refractive Index: 1.812
- Storage Temp.: N/A
- Solubility: N/A
- PKA: 1.83±0.10(Predicted)
- CAS DataBase Reference: [(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-y l]methoxyphosphonic acid(CAS DataBase Reference)
- NIST Chemistry Reference: [(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-y l]methoxyphosphonic acid(149091-93-0)
- EPA Substance Registry System: [(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-y l]methoxyphosphonic acid(149091-93-0)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 149091-93-0(Hazardous Substances Data)
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149091-93-0 Usage
Uses
Used in Pharmaceutical Research:[(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-diphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methoxyphosphonic acid is used as a research compound for its potential role in inhibiting enzymes involved in nucleic acid synthesis, which could lead to the development of new drugs targeting various diseases.
Used in Drug Development:
In the pharmaceutical industry, [(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-diphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-yl]methoxyphosphonic acid is used as a lead compound for the development of new therapeutic agents, particularly those targeting nucleic acid synthesis pathways, which are often implicated in various diseases and disorders.
Check Digit Verification of cas no
The CAS Registry Mumber 149091-93-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,4,9,0,9 and 1 respectively; the second part has 2 digits, 9 and 3 respectively.Calculate Digit Verification of CAS Registry Number 149091-93:
(8*1)+(7*4)+(6*9)+(5*0)+(4*9)+(3*1)+(2*9)+(1*3)=150
150 % 10 = 0
So 149091-93-0 is a valid CAS Registry Number.
InChI:InChI=1/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1
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[(2R,3R,4R,5R)-3-[(2R,3R,4S,5R,6R)-6-(acetyloxymethyl)-3-hydroxy-4,5-d iphosphonooxy-oxan-2-yl]oxy-5-(6-aminopurin-9-yl)-4-hydroxy-oxolan-2-y l]methoxyphosphonic acid
