7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol

C34H37N3O5 — CID 143157560

IUPAC7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol
SMILESCC(C)(O)O.CC1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1c1coc2c(N)ncnc12
InChIInChI=1S/C31H29N3O3.C3H8O2/c1-21-17-25(37-28(21)26-19-35-29-27(26)33-20-34-30(29)32)18-36-31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-3(2,4)5/h2-16,19-21,25,28H,17-18H2,1H3,(H2,32,33,34);4-5H,1-2H3/t21?,25-,28+;/m0./s1
InChIKeyKXYFMOVONNNQBH-DCOIUJJHSA-N
MW567.69 g/mol
LogP5.99
Rot. Bonds7

About 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol

7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol (PubChem CID 143157560) has the molecular formula C34H37N3O5 and a molecular weight of 567.69 g/mol. Its IUPAC name is 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol.

Molecular Properties

Compound Name7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol
PubChem CID143157560
Molecular FormulaC34H37N3O5
Molecular Weight567.69 g/mol
Exact Mass567.27
IUPAC Name7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol
SMILESCC(C)(O)O.CC1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1c1coc2c(N)ncnc12
InChIInChI=1S/C31H29N3O3.C3H8O2/c1-21-17-25(37-28(21)26-19-35-29-27(26)33-20-34-30(29)32)18-36-31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-3(2,4)5/h2-16,19-21,25,28H,17-18H2,1H3,(H2,32,33,34);4-5H,1-2H3/t21?,25-,28+;/m0./s1
InChIKeyKXYFMOVONNNQBH-DCOIUJJHSA-N
XLogP5.99
TPSA123.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.69
LogP ≤ 55.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;(5S)-2,3-dimethyl-5-(trityloxymethyl)oxolane;propane-2,2-diol
CID 143157543
9-[5-(trityloxymethyl)oxolan-2-yl]purin-6-amine
CID 18516769
(2R,3R,4R,5S)-5-(4-aminofuro[3,2-d]pyrimidin-7-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
CID 58676024
(2S,5S)-2-(4-aminofuro[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)-3-methyloxolan-3-ol
CID 143157481
(2S,3R,5S)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
CID 124929697
(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-ol
CID 178184681
(2S,3S,5S)-3-fluoro-5-(trityloxymethyl)oxolan-2-ol
CID 14859660
9-[(1S,2R,4R,5S)-4-(trityloxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10278142
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-methylsulfonyloxy-2-(trityloxymethyl)oxolan-3-yl] acetate
CID 10168168
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[(3-methoxyphenyl)-diphenylmethoxy]methyl]oxolane-3,4-diol
CID 23543114
[(2R,3R,5R)-2-methoxy-5-(trityloxymethyl)oxolan-3-yl] benzoate
CID 178184680
[(2S,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-3-yl] 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 118074001

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
The IUPAC name of 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol (CID 143157560) is 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol.
What is the SMILES notation for 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
The canonical SMILES for 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol is CC(C)(O)O.CC1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1c1coc2c(N)ncnc12.
What is the InChIKey of 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
The InChIKey is KXYFMOVONNNQBH-DCOIUJJHSA-N. The full InChI is InChI=1S/C31H29N3O3.C3H8O2/c1-21-17-25(37-28(21)26-19-35-29-27(26)33-20-34-30(29)32)18-36-31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;1-3(2,4)5/h2-16,19-21,25,28H,17-18H2,1H3,(H2,32,33,34);4-5H,1-2H3/t21?,25-,28+;/m0./s1.
What are the key properties of 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol?
7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol has a molecular weight of 567.69 g/mol, XLogP of 5.99, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,5S)-3-methyl-5-(trityloxymethyl)oxolan-2-yl]furo[3,2-d]pyrimidin-4-amine;propane-2,2-diol is sourced from PubChem (CID 143157560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).