(2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol

C14H24N8O4 — CID 25231487

IUPAC(2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol
SMILESCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H24N8O4/c1-17-14-20-8-11(15)18-6-19-12(8)22(14)13-10(24)9(23)7(26-13)5-21(2)3-4-25-16/h6-7,9-10,13,23-24H,3-5,16H2,1-2H3,(H,17,20)(H2,15,18,19)/t7-,9-,10-,13-/m1/s1
InChIKeyFAZNKZZDZSDWHR-QYVSTXNMSA-N
MW368.40 g/mol
LogP-2.11
Rot. Bonds7

About (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol (PubChem CID 25231487) has the molecular formula C14H24N8O4 and a molecular weight of 368.40 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol
PubChem CID25231487
Molecular FormulaC14H24N8O4
Molecular Weight368.40 g/mol
Exact Mass368.19
IUPAC Name(2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol
SMILESCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H24N8O4/c1-17-14-20-8-11(15)18-6-19-12(8)22(14)13-10(24)9(23)7(26-13)5-21(2)3-4-25-16/h6-7,9-10,13,23-24H,3-5,16H2,1-2H3,(H,17,20)(H2,15,18,19)/t7-,9-,10-,13-/m1/s1
InChIKeyFAZNKZZDZSDWHR-QYVSTXNMSA-N
XLogP-2.11
TPSA169.83 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 5-2.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol (CID 25231487) is (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol is CNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CN(C)CCON)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol?
The InChIKey is FAZNKZZDZSDWHR-QYVSTXNMSA-N. The full InChI is InChI=1S/C14H24N8O4/c1-17-14-20-8-11(15)18-6-19-12(8)22(14)13-10(24)9(23)7(26-13)5-21(2)3-4-25-16/h6-7,9-10,13,23-24H,3-5,16H2,1-2H3,(H,17,20)(H2,15,18,19)/t7-,9-,10-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol has a molecular weight of 368.40 g/mol, XLogP of -2.11, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[6-amino-8-(methylamino)purin-9-yl]-5-[[2-aminooxyethyl(methyl)amino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 25231487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).