(2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C18H19N5O4 — CID 11383079

IUPAC(2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-21-13-16(19-8-20-17(13)23)22-6-5-10-3-1-2-4-11(10)22/h1-4,8-9,12,14-15,18,24-26H,5-7H2/t12-,14-,15-,18-/m1/s1
InChIKeyMJZNVFUWLNOLRO-SCFUHWHPSA-N
MW369.38 g/mol
LogP0.13
Rot. Bonds3

About (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 11383079) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID11383079
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-21-13-16(19-8-20-17(13)23)22-6-5-10-3-1-2-4-11(10)22/h1-4,8-9,12,14-15,18,24-26H,5-7H2/t12-,14-,15-,18-/m1/s1
InChIKeyMJZNVFUWLNOLRO-SCFUHWHPSA-N
XLogP0.13
TPSA116.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 11383079) is (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc54)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is MJZNVFUWLNOLRO-SCFUHWHPSA-N. The full InChI is InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-21-13-16(19-8-20-17(13)23)22-6-5-10-3-1-2-4-11(10)22/h1-4,8-9,12,14-15,18,24-26H,5-7H2/t12-,14-,15-,18-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 369.38 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[6-(2,3-dihydroindol-1-yl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 11383079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).