(2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide

C24H29N9O5 — CID 71578214

About (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide

(2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide (PubChem CID 71578214) has the molecular formula C24H29N9O5 and a molecular weight of 523.55 g/mol. Its IUPAC name is (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide
• PubChem CID: 71578214
• Molecular Formula: C24H29N9O5
• Molecular Weight: 523.55 g/mol
• Exact Mass: 523.23
• IUPAC Name: (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide
• SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)Cc2cncn2COCc2ccccc2)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C24H29N9O5/c25-16(6-15-7-27-11-32(15)13-37-9-14-4-2-1-3-5-14)23(36)28-8-17-19(34)20(35)24(38-17)33-12-31-18-21(26)29-10-30-22(18)33/h1-5,7,10-12,16-17,19-20,24,34-35H,6,8-9,13,25H2,(H,28,36)(H2,26,29,30)/t16-,17-,19-,20-,24-/m1/s1
• InChIKey: ZKYNLZCIQYJRDT-BNCYDMKUSA-N
• XLogP: -0.92
• TPSA: 201.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.55
LogP ≤ 5	-0.92
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide?

The IUPAC name of (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide (CID 71578214) is (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide.

What is the SMILES notation for (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide?

The canonical SMILES for (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide is Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)Cc2cncn2COCc2ccccc2)[C@@H](O)[C@H]1O.

What is the InChIKey of (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide?

The InChIKey is ZKYNLZCIQYJRDT-BNCYDMKUSA-N. The full InChI is InChI=1S/C24H29N9O5/c25-16(6-15-7-27-11-32(15)13-37-9-14-4-2-1-3-5-14)23(36)28-8-17-19(34)20(35)24(38-17)33-12-31-18-21(26)29-10-30-22(18)33/h1-5,7,10-12,16-17,19-20,24,34-35H,6,8-9,13,25H2,(H,28,36)(H2,26,29,30)/t16-,17-,19-,20-,24-/m1/s1.

What are the key properties of (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide?

(2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide has a molecular weight of 523.55 g/mol, XLogP of -0.92, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-3-[3-(phenylmethoxymethyl)imidazol-4-yl]propanamide is sourced from PubChem (CID 71578214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).