(10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol

C10H11N5O3 — CID 135713086

IUPAC(10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol
SMILES[H]/N=c1\ncn2c3c([nH]nc13)[C@@H]1O[C@H](C2)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11N5O3/c11-10-5-6-4(13-14-5)9-8(17)7(16)3(18-9)1-15(6)2-12-10/h2-3,7-9,11,16-17H,1H2,(H,13,14)/b11-10-/t3-,7-,8-,9+/m1/s1
InChIKeyGVRZAYXRDIDVBX-XOFPLSEYSA-N
MW249.23 g/mol
LogP-1.59
Rot. Bonds

About (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol

(10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol (PubChem CID 135713086) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol.

Molecular Properties

Compound Name(10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol
PubChem CID135713086
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name(10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol
SMILES[H]/N=c1\ncn2c3c([nH]nc13)[C@@H]1O[C@H](C2)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H11N5O3/c11-10-5-6-4(13-14-5)9-8(17)7(16)3(18-9)1-15(6)2-12-10/h2-3,7-9,11,16-17H,1H2,(H,13,14)/b11-10-/t3-,7-,8-,9+/m1/s1
InChIKeyGVRZAYXRDIDVBX-XOFPLSEYSA-N
XLogP-1.59
TPSA120.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol with MolForge

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Related Compounds

(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(7-imino-4-methyl-2H-pyrazolo[4,3-d]pyrimidin-3-yl)oxolane-3,4-diol
CID 135412760
(1S,9S,10S,11R)-10,11-dihydroxy-12-oxa-2,5,7-triazatricyclo[7.2.1.03,7]dodeca-3,5-diene-4-carboxamide
CID 101003040
[(2S,4S)-4-(7-imino-2H-triazolo[4,5-d]pyrimidin-4-yl)-3-methylideneoxolan-2-yl]methanol
CID 136834159
(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
[(2R,3S,4R,5R)-2-(3-bromo-6-iminopurin-9-yl)-3,4-dihydroxy-5-(1-hydroxy-3-methyl-2-oxobutyl)oxolan-3-yl] acetate
CID 175456561
5-amino-3-[(2S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[3,4-c]pyridin-7-one
CID 135011179
8,10-dihydroxy-24-imino-8,10-dioxo-7,9,11,25,26-pentaoxa-1,17,19,22-tetraza-8λ5,10λ5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-3,4,14,15-tetrol
CID 22062770
CID 137263955
CID 137263955
sodium [3,4-dihydroxy-5-(6-imino-7H-purin-3-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 135502120
(2S,3R,4S)-2-(hydroxymethyl)-5-[(8S)-5-imino-8-phenyl-8,9-dihydro-7H-imidazo[2,1-f]purin-3-yl]oxolane-3,4-diol
CID 135976468
[(2S,4R,5S)-5-(6-bromo-5-carbamoyl-4-imino-7H-pyrrolo[2,3-d]pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl adamantane-1-carboxylate
CID 177291693
(2S,3R,4R)-2-(1-methylimidazol-4-yl)oxolane-3,4-diol
CID 130927432

Frequently Asked Questions

What is the IUPAC name of (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol?
The IUPAC name of (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol (CID 135713086) is (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol.
What is the SMILES notation for (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol?
The canonical SMILES for (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol is [H]/N=c1\ncn2c3c([nH]nc13)[C@@H]1O[C@H](C2)[C@@H](O)[C@H]1O.
What is the InChIKey of (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol?
The InChIKey is GVRZAYXRDIDVBX-XOFPLSEYSA-N. The full InChI is InChI=1S/C10H11N5O3/c11-10-5-6-4(13-14-5)9-8(17)7(16)3(18-9)1-15(6)2-12-10/h2-3,7-9,11,16-17H,1H2,(H,13,14)/b11-10-/t3-,7-,8-,9+/m1/s1.
What are the key properties of (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol?
(10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol has a molecular weight of 249.23 g/mol, XLogP of -1.59, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R,11S,12R,13S)-5-imino-15-oxa-2,3,6,8-tetrazatetracyclo[6.5.1.110,13.04,14]pentadeca-1(14),3,6-triene-11,12-diol is sourced from PubChem (CID 135713086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).