[2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid

About [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid

[2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid (PubChem CID 160641265) has the molecular formula C25H24ClN5O9P2 and a molecular weight of 635.89 g/mol. Its IUPAC name is [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name	[2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid
PubChem CID	160641265
Molecular Formula	C25H24ClN5O9P2
Molecular Weight	635.89 g/mol
Exact Mass	635.07
IUPAC Name	[2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid
SMILES	O=C1c2ccccc2-c2cc(Nc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CCP(=O)(O)CP(=O)(O)O)C(O)[C@@H]3O)ccc21
InChI	InChI=1S/C25H24ClN5O9P2/c26-25-29-22(28-12-5-6-15-16(9-12)13-3-1-2-4-14(13)19(15)32)18-23(30-25)31(10-27-18)24-21(34)20(33)17(40-24)7-8-41(35,36)11-42(37,38)39/h1-6,9-10,17,20-21,24,33-34H,7-8,11H2,(H,35,36)(H,28,29,30)(H2,37,38,39)/t17-,20?,21+,24-/m1/s1
InChIKey	RJEZVHVFYZXSLW-DHHGCZQOSA-N
XLogP	2.85
TPSA	217.22 Å²
H-Bond Donors	6
H-Bond Acceptors	11
Rotatable Bonds	8
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	635.89
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phosphor', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid?

The IUPAC name of [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid (CID 160641265) is [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid.

What is the SMILES notation for [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid?

The canonical SMILES for [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid is O=C1c2ccccc2-c2cc(Nc3nc(Cl)nc4c3ncn4[C@@H]3O[C@H](CCP(=O)(O)CP(=O)(O)O)C(O)[C@@H]3O)ccc21.

What is the InChIKey of [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid?

The InChIKey is RJEZVHVFYZXSLW-DHHGCZQOSA-N. The full InChI is InChI=1S/C25H24ClN5O9P2/c26-25-29-22(28-12-5-6-15-16(9-12)13-3-1-2-4-14(13)19(15)32)18-23(30-25)31(10-27-18)24-21(34)20(33)17(40-24)7-8-41(35,36)11-42(37,38)39/h1-6,9-10,17,20-21,24,33-34H,7-8,11H2,(H,35,36)(H,28,29,30)(H2,37,38,39)/t17-,20?,21+,24-/m1/s1.

What are the key properties of [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid?

[2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid has a molecular weight of 635.89 g/mol, XLogP of 2.85, 8 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2R,4S,5R)-5-[2-chloro-6-[(9-oxofluoren-3-yl)amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]ethyl-hydroxyphosphoryl]methylphosphonic acid is sourced from PubChem (CID 160641265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).