(10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione

C10H10N4O5 — CID 15939533

IUPAC(10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione
SMILESO=c1[nH]c(=O)n2c3c1ncn3[C@@H]1O[C@H](C2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H10N4O5/c15-5-3-1-13-8-4(7(17)12-10(13)18)11-2-14(8)9(19-3)6(5)16/h2-3,5-6,9,15-16H,1H2,(H,12,17,18)/t3-,5+,6+,9-/m1/s1
InChIKeyZZCRHLWLBFCBOJ-GFRUICAKSA-N
MW266.21 g/mol
LogP-2.48
Rot. Bonds

About (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione

(10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione (PubChem CID 15939533) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione.

Molecular Properties

Compound Name(10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione
PubChem CID15939533
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name(10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione
SMILESO=c1[nH]c(=O)n2c3c1ncn3[C@@H]1O[C@H](C2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H10N4O5/c15-5-3-1-13-8-4(7(17)12-10(13)18)11-2-14(8)9(19-3)6(5)16/h2-3,5-6,9,15-16H,1H2,(H,12,17,18)/t3-,5+,6+,9-/m1/s1
InChIKeyZZCRHLWLBFCBOJ-GFRUICAKSA-N
XLogP-2.48
TPSA122.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-2.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione with MolForge

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Related Compounds

(10R,12R)-10,12-bis(hydroxymethyl)-11-oxa-1,3,6,8-tetrazatricyclo[6.4.1.04,13]trideca-2,4(13)-diene-5,7-dione
CID 11737240
3-[9-[(2S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopurin-3-yl]prop-2-enal
CID 57000497
(9R,10S,11R,12S)-10,11-dihydroxy-15-oxa-1,2,3,6,8-pentazatetracyclo[6.5.1.19,12.04,14]pentadeca-2,4(14)-diene-5,7-dione
CID 98535234
9-[(3S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
CID 171699514
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;dihydrate
CID 22508218
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(hydroxymethyl)-1H-purin-6-one
CID 135599155
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-3H-purin-6-one
CID 10266795
9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one
CID 137090331
6-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-imidazo[4,5-c]pyridin-4-one
CID 46874464
2-methylsulfanyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-purin-6-one
CID 136713997
2-amino-9-[(1S,6R,8R,9R,10S,15R,17R,18R)-17-(2-amino-6-oxo-1H-purin-9-yl)-9,18-dihydroxy-3,12-bis(sulfanylidene)-7,16-dioxa-2,4,11,13-tetrazatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 136673034
N-[9-[(3R,4R,5S)-4-hydroxy-2-oxabicyclo[3.1.0]hexan-3-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 167508867

Frequently Asked Questions

What is the IUPAC name of (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione?
The IUPAC name of (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione (CID 15939533) is (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione.
What is the SMILES notation for (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione?
The canonical SMILES for (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione is O=c1[nH]c(=O)n2c3c1ncn3[C@@H]1O[C@H](C2)[C@H](O)[C@@H]1O.
What is the InChIKey of (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione?
The InChIKey is ZZCRHLWLBFCBOJ-GFRUICAKSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-5-3-1-13-8-4(7(17)12-10(13)18)11-2-14(8)9(19-3)6(5)16/h2-3,5-6,9,15-16H,1H2,(H,12,17,18)/t3-,5+,6+,9-/m1/s1.
What are the key properties of (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione?
(10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione has a molecular weight of 266.21 g/mol, XLogP of -2.48, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11R,12S,13R)-11,12-dihydroxy-15-oxa-1,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-2,4(14)-diene-5,7-dione is sourced from PubChem (CID 15939533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).