(2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

C25H25N5O5 — CID 67831742

IUPAC(2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
SMILESCOC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCC3(O)c4ccccc4-c4ccccc43)ncnc21
InChIInChI=1S/C25H25N5O5/c1-34-21-20(32)18(10-31)35-24(21)30-13-29-19-22(27-12-28-23(19)30)26-11-25(33)16-8-4-2-6-14(16)15-7-3-5-9-17(15)25/h2-9,12-13,18,20-21,24,31-33H,10-11H2,1H3,(H,26,27,28)/t18-,20?,21?,24-/m1/s1
InChIKeyUJSOLVSBLXWWRG-LBQDIGMFSA-N
MW475.51 g/mol
LogP1.42
Rot. Bonds6

About (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol

(2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol (PubChem CID 67831742) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
PubChem CID67831742
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name(2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
SMILESCOC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCC3(O)c4ccccc4-c4ccccc43)ncnc21
InChIInChI=1S/C25H25N5O5/c1-34-21-20(32)18(10-31)35-24(21)30-13-29-19-22(27-12-28-23(19)30)26-11-25(33)16-8-4-2-6-14(16)15-7-3-5-9-17(15)25/h2-9,12-13,18,20-21,24,31-33H,10-11H2,1H3,(H,26,27,28)/t18-,20?,21?,24-/m1/s1
InChIKeyUJSOLVSBLXWWRG-LBQDIGMFSA-N
XLogP1.42
TPSA134.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol with MolForge

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Related Compounds

N-[9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 67084775
N-[9-[(4S)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]benzamide
CID 171699416
N-[9-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]purin-6-yl]acetamide
CID 177270494
(2R,3R,4R,5R)-5-[6-(4-chloroanilino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 15051918
bis((2R,3R,4R,5R)-5-[6-(cyclohexylamino)purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol);trihydrate
CID 71351377
2-[6-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 14348643
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(1-phenylcyclopropyl)methylamino]purin-9-yl]oxolane-3,4-diol
CID 15611191
(2R,4R,5R)-2-(6-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11957679
(2R,3S,4S)-2-(hydroxymethyl)-5-[6-[(2-methoxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
CID 121399345
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-methoxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
CID 10407877
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 5284425
(3R,4S,5R)-2-[6-(cyclopropylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46874713

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
The IUPAC name of (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol (CID 67831742) is (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
The canonical SMILES for (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol is COC1C(O)[C@@H](CO)O[C@H]1n1cnc2c(NCC3(O)c4ccccc4-c4ccccc43)ncnc21.
What is the InChIKey of (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
The InChIKey is UJSOLVSBLXWWRG-LBQDIGMFSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-34-21-20(32)18(10-31)35-24(21)30-13-29-19-22(27-12-28-23(19)30)26-11-25(33)16-8-4-2-6-14(16)15-7-3-5-9-17(15)25/h2-9,12-13,18,20-21,24,31-33H,10-11H2,1H3,(H,26,27,28)/t18-,20?,21?,24-/m1/s1.
What are the key properties of (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol?
(2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol has a molecular weight of 475.51 g/mol, XLogP of 1.42, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[6-[(9-hydroxyfluoren-9-yl)methylamino]purin-9-yl]-2-(hydroxymethyl)-4-methoxyoxolan-3-ol is sourced from PubChem (CID 67831742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).