(3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

C17H17N3O4 — CID 86576508

IUPAC(3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESOCC1O[C@@H](n2ccc3c(-c4ccccc4)ncnc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H17N3O4/c21-8-12-14(22)15(23)17(24-12)20-7-6-11-13(18-9-19-16(11)20)10-4-2-1-3-5-10/h1-7,9,12,14-15,17,21-23H,8H2/t12?,14-,15-,17+/m0/s1
InChIKeyRECZZFZRTSLTOB-YPYGOZMJSA-N
MW327.34 g/mol
LogP0.71
Rot. Bonds3

About (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol

(3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (PubChem CID 86576508) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
PubChem CID86576508
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
SMILESOCC1O[C@@H](n2ccc3c(-c4ccccc4)ncnc32)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H17N3O4/c21-8-12-14(22)15(23)17(24-12)20-7-6-11-13(18-9-19-16(11)20)10-4-2-1-3-5-10/h1-7,9,12,14-15,17,21-23H,8H2/t12?,14-,15-,17+/m0/s1
InChIKeyRECZZFZRTSLTOB-YPYGOZMJSA-N
XLogP0.71
TPSA100.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol with MolForge

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Related Compounds

7-[(5R)-5-C-(4-Chlorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 122497020
Benzyladenosine
CID 92208
CV-1808
CID 6917803
2-Methyl-5-(5-phenyl-4-phenylamino-pyrrolo[2,3-d]pyrimidin-7-yl)-tetrahydro-furan-3,4-diol
CID 5311109
Epz004777
CID 56962336
(R)-Pia
CID 93205
1-Deaza-Adenosine
CID 159738
2-[4-(4-Fluoro-phenylamino)-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl]-5-methyl-tetrahydro-furan-3,4-diol
CID 9802216
2-[6-amino-2-(phenylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 1585
Metrifudil
CID 65710
(125I)Apnea
CID 4397
N(6)-Phenyladenosine
CID 101430

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol (CID 86576508) is (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is OCC1O[C@@H](n2ccc3c(-c4ccccc4)ncnc32)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
The InChIKey is RECZZFZRTSLTOB-YPYGOZMJSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-8-12-14(22)15(23)17(24-12)20-7-6-11-13(18-9-19-16(11)20)10-4-2-1-3-5-10/h1-7,9,12,14-15,17,21-23H,8H2/t12?,14-,15-,17+/m0/s1.
What are the key properties of (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol?
(3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol has a molecular weight of 327.34 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-(hydroxymethyl)-5-(4-phenylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol is sourced from PubChem (CID 86576508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).