(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one

C10H16N2O6 — CID 67800046

IUPAC(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one
SMILESCOc1ccnc(=O)[nH]1.OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H6N2O2.C5H10O4/c1-9-4-2-3-6-5(8)7-4;6-1-4-5(8)3(7)2-9-4/h2-3H,1H3,(H,6,7,8);3-8H,1-2H2/t;3-,4+,5-/m.0/s1
InChIKeyDCOYHZJFLKTHRM-HEEXEHOYSA-N
MW260.25 g/mol
LogP-2.12
Rot. Bonds2

About (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one

(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one (PubChem CID 67800046) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one
PubChem CID67800046
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one
SMILESCOc1ccnc(=O)[nH]1.OC[C@H]1OC[C@H](O)[C@@H]1O
InChIInChI=1S/C5H6N2O2.C5H10O4/c1-9-4-2-3-6-5(8)7-4;6-1-4-5(8)3(7)2-9-4/h2-3H,1H3,(H,6,7,8);3-8H,1-2H2/t;3-,4+,5-/m.0/s1
InChIKeyDCOYHZJFLKTHRM-HEEXEHOYSA-N
XLogP-2.12
TPSA124.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one (CID 67800046) is (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one is COc1ccnc(=O)[nH]1.OC[C@H]1OC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one?
The InChIKey is DCOYHZJFLKTHRM-HEEXEHOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C5H10O4/c1-9-4-2-3-6-5(8)7-4;6-1-4-5(8)3(7)2-9-4/h2-3H,1H3,(H,6,7,8);3-8H,1-2H2/t;3-,4+,5-/m.0/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one?
(2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one has a molecular weight of 260.25 g/mol, XLogP of -2.12, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)oxolane-3,4-diol;6-methoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 67800046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).