(2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C19H29N5O5Si — CID 70630466

IUPAC(2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=CC[Si](CC=C)(CC=C)OC1(N)N=CNc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H29N5O5Si/c1-4-7-30(8-5-2,9-6-3)29-19(20)16-17(21-11-23-19)24(12-22-16)18-15(27)14(26)13(10-25)28-18/h4-6,11-15,18,25-27H,1-3,7-10,20H2,(H,21,23)/t13-,14-,15-,18-,19?/m1/s1
InChIKeyYBRZYKQYJBRRSJ-QPOXZDKKSA-N
MW435.56 g/mol
LogP0.54
Rot. Bonds10

About (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 70630466) has the molecular formula C19H29N5O5Si and a molecular weight of 435.56 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID70630466
Molecular FormulaC19H29N5O5Si
Molecular Weight435.56 g/mol
Exact Mass435.19
IUPAC Name(2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=CC[Si](CC=C)(CC=C)OC1(N)N=CNc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C19H29N5O5Si/c1-4-7-30(8-5-2,9-6-3)29-19(20)16-17(21-11-23-19)24(12-22-16)18-15(27)14(26)13(10-25)28-18/h4-6,11-15,18,25-27H,1-3,7-10,20H2,(H,21,23)/t13-,14-,15-,18-,19?/m1/s1
InChIKeyYBRZYKQYJBRRSJ-QPOXZDKKSA-N
XLogP0.54
TPSA147.38 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.56
LogP ≤ 50.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4R)-2-(hydroxymethyl)-5-(6-methyl-6-sulfanyl-3H-purin-9-yl)oxolane-3,4-diol
CID 23616816
(2R,3R,4S,5R)-2-[6-amino-6-(cyclopentylamino)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67018337
6-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-yl]hexanal
CID 173214564
(2R,3R,4S,5R)-2-[2-amino-6-hydroxy-6-(thiophen-2-ylmethyl)-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 149159379
bis(1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarboxamide);hydrate
CID 21140713
2-(hydroxymethyl)-5-(6-piperidin-1-yl-2,3-dihydropurin-9-yl)oxolane-3,4-diol
CID 152978576
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
(2R,3R,4S,5R)-2-(4,5-dichloroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 3012563
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-N,5-N-bis(prop-2-enyl)imidazole-4,5-dicarboxamide
CID 54170270
(2R,3S,5R)-2-(6-amino-2-ethenylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 166057536
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarbonitrile
CID 3006680
4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 158812612

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 70630466) is (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is C=CC[Si](CC=C)(CC=C)OC1(N)N=CNc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YBRZYKQYJBRRSJ-QPOXZDKKSA-N. The full InChI is InChI=1S/C19H29N5O5Si/c1-4-7-30(8-5-2,9-6-3)29-19(20)16-17(21-11-23-19)24(12-22-16)18-15(27)14(26)13(10-25)28-18/h4-6,11-15,18,25-27H,1-3,7-10,20H2,(H,21,23)/t13-,14-,15-,18-,19?/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 435.56 g/mol, XLogP of 0.54, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[6-amino-6-tris(prop-2-enyl)silyloxy-3H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 70630466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).