(2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C10H19N5O4 — CID 176947917

IUPAC(2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1NCNC2=C1NCN2[C@@H]1O[C@H](CO)C(O)C1O
InChIInChI=1S/C10H19N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h4,6-8,10,12-14,16-18H,1-3,11H2/t4-,6?,7?,8?,10-/m1/s1
InChIKeyYOAPDPINYLDAJY-IFWDYQRMSA-N
MW273.29 g/mol
LogP-4.11
Rot. Bonds2

About (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 176947917) has the molecular formula C10H19N5O4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID176947917
Molecular FormulaC10H19N5O4
Molecular Weight273.29 g/mol
Exact Mass273.14
IUPAC Name(2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESNC1NCNC2=C1NCN2[C@@H]1O[C@H](CO)C(O)C1O
InChIInChI=1S/C10H19N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h4,6-8,10,12-14,16-18H,1-3,11H2/t4-,6?,7?,8?,10-/m1/s1
InChIKeyYOAPDPINYLDAJY-IFWDYQRMSA-N
XLogP-4.11
TPSA135.27 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.29
LogP ≤ 5-4.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,5R)-2-(6-amino-2-methyl-2,3,7,8-tetrahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 137231164
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazolidin-2-one
CID 46876305
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-oxoimidazolidine-4-carboxamide
CID 53470397
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 72780510
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,7-dihydro-1H-1,3-diazepin-2-one
CID 46876343
3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-dihydro-1H-purin-6-one
CID 21126088
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]piperazine-2,5-dione
CID 5273526
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one;dihydrate
CID 146673023
1-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
CID 171699340
3-[(3R,4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,6,7-tetrahydroimidazo[4,5-g]phthalazine-5,8-dione
CID 142256539
6-amino-3-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
CID 71300405
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4,5-trione
CID 98575508

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 176947917) is (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is NC1NCNC2=C1NCN2[C@@H]1O[C@H](CO)C(O)C1O.
What is the InChIKey of (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YOAPDPINYLDAJY-IFWDYQRMSA-N. The full InChI is InChI=1S/C10H19N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h4,6-8,10,12-14,16-18H,1-3,11H2/t4-,6?,7?,8?,10-/m1/s1.
What are the key properties of (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 273.29 g/mol, XLogP of -4.11, 2 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(6-amino-1,2,3,6,7,8-hexahydropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 176947917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).