Cas no 900498-43-3 (Pantetheine, 4-ester with 5′-pyrophosphate of adenosine 3′-phosphate)

Pantetheine, 4-ester with 5′-pyrophosphate of adenosine 3′-phosphate structure
900498-43-3 structure
Product Name:Pantetheine, 4-ester with 5′-pyrophosphate of adenosine 3′-phosphate
CAS No:900498-43-3
MF:C21H36N7O16P3S
MW:767.53
CID:2074431
PubChem ID:6816
Update Time:2026-01-13

Pantetheine, 4-ester with 5′-pyrophosphate of adenosine 3′-phosphate Chemical and Physical Properties

Names and Identifiers

    • CoA
    • CoA-SH
    • CoASH
    • coenzime A
    • Coenzym A
    • coenzyme A
    • coenzyme-A
    • HS-CoA
    • HSCoA
    • Pantetheine, 4-ester with 5'-pyrophosphate of adenosine 3'-phosphate (5CI)
    • {(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({hydroxy({hydroxy3-hydroxy-2,2-dimethyl-3-({2-(2-sulfanylethyl)carbamoylethyl}carbamoyl)propoxyphosphoryl}oxy)phosphoryloxy}methyl)oxolan-3-yloxy}phosphonic acid
    • Pantetheine, 4-ester with 5′-pyrophosphate of adenosine 3′-phosphate
    • Inchi： InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16?,20-/m1/s1
    • InChI Key： RGJOEKWQDUBAIZ-DRCCLKDXSA-N
    • SMILES： CC(COP(O)(OP(O)(OC[C@@H]1[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](O1)N2C=NC3=C(N=CN=C32)N)=O)=O)(C(O)C(NCCC(NCCS)=O)=O)C

Computed Properties

  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 48
  • Rotatable Bond Count: 20

Pantetheine, 4-ester with 5′-pyrophosphate of adenosine 3′-phosphate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-102292-0.05g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
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 $265.0 2025-02-19
Enamine
EN300-102292-0.1g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
0.1g
 $394.0 2025-02-19
Enamine
EN300-102292-0.25g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
0.25g
 $562.0 2025-02-19
Enamine
EN300-102292-0.5g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
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 $885.0 2025-02-19
Enamine
EN300-102292-1.0g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
1.0g
 $1135.0 2025-02-19
Enamine
EN300-102292-2.5g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
2.5g
 $2373.0 2025-02-19
Enamine
EN300-102292-5.0g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
5.0g
 $4678.0 2025-02-19
Enamine
EN300-102292-10.0g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95.0%
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 $9120.0 2025-02-19
Enamine
EN300-102292-1g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95%
1g
 $1135.0 2023-10-28
Enamine
EN300-102292-5g
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
 900498-43-3 95%
5g
 $4678.0 2023-10-28

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