9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one

C14H19N5O6 — CID 174673725

IUPAC9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@]1(C2CNCCO2)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H19N5O6/c20-4-7-10(21)11(22)14(25-7,8-3-15-1-2-24-8)19-6-18-9-12(19)16-5-17-13(9)23/h5-8,10-11,15,20-22H,1-4H2,(H,16,17,23)/t7-,8?,10-,11-,14-/m1/s1
InChIKeyRRKHDPMFHREWRU-SUDWGGGTSA-N
MW353.34 g/mol
LogP-3.13
Rot. Bonds3

About 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one

9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one (PubChem CID 174673725) has the molecular formula C14H19N5O6 and a molecular weight of 353.34 g/mol. Its IUPAC name is 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one.

Molecular Properties

Compound Name9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one
PubChem CID174673725
Molecular FormulaC14H19N5O6
Molecular Weight353.34 g/mol
Exact Mass353.13
IUPAC Name9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one
SMILESO=c1[nH]cnc2c1ncn2[C@]1(C2CNCCO2)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H19N5O6/c20-4-7-10(21)11(22)14(25-7,8-3-15-1-2-24-8)19-6-18-9-12(19)16-5-17-13(9)23/h5-8,10-11,15,20-22H,1-4H2,(H,16,17,23)/t7-,8?,10-,11-,14-/m1/s1
InChIKeyRRKHDPMFHREWRU-SUDWGGGTSA-N
XLogP-3.13
TPSA154.75 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 5-3.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one?
The IUPAC name of 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one (CID 174673725) is 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one.
What is the SMILES notation for 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one?
The canonical SMILES for 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one is O=c1[nH]cnc2c1ncn2[C@]1(C2CNCCO2)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one?
The InChIKey is RRKHDPMFHREWRU-SUDWGGGTSA-N. The full InChI is InChI=1S/C14H19N5O6/c20-4-7-10(21)11(22)14(25-7,8-3-15-1-2-24-8)19-6-18-9-12(19)16-5-17-13(9)23/h5-8,10-11,15,20-22H,1-4H2,(H,16,17,23)/t7-,8?,10-,11-,14-/m1/s1.
What are the key properties of 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one?
9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one has a molecular weight of 353.34 g/mol, XLogP of -3.13, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-morpholin-2-yloxolan-2-yl]-1H-purin-6-one is sourced from PubChem (CID 174673725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).