sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione

C11H13N5NaO6+ — CID 11290547

IUPACsodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione
SMILESNc1cnc2c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]c(=O)c2n1.[Na+]
InChIInChI=1S/C11H13N5O6.Na/c12-4-1-13-6-5(14-4)9(20)15-16(10(6)21)11-8(19)7(18)3(2-17)22-11;/h1,3,7-8,11,17-19H,2H2,(H2,12,14)(H,15,20);/q;+1/t3-,7-,8-,11-;/m1./s1
InChIKeyMSWNOOYUVDMXMO-AGFALQQISA-N
MW334.24 g/mol
LogP-6.32
Rot. Bonds2

About sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione

sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione (PubChem CID 11290547) has the molecular formula C11H13N5NaO6+ and a molecular weight of 334.24 g/mol. Its IUPAC name is sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione.

Molecular Properties

Compound Namesodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione
PubChem CID11290547
Molecular FormulaC11H13N5NaO6+
Molecular Weight334.24 g/mol
Exact Mass334.08
IUPAC Namesodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione
SMILESNc1cnc2c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]c(=O)c2n1.[Na+]
InChIInChI=1S/C11H13N5O6.Na/c12-4-1-13-6-5(14-4)9(20)15-16(10(6)21)11-8(19)7(18)3(2-17)22-11;/h1,3,7-8,11,17-19H,2H2,(H2,12,14)(H,15,20);/q;+1/t3-,7-,8-,11-;/m1./s1
InChIKeyMSWNOOYUVDMXMO-AGFALQQISA-N
XLogP-6.32
TPSA176.58 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 5-6.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione with MolForge

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Related Compounds

6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,8-dioxo-7H-pyrazino[2,3-d]pyridazine-3-carboxylic acid
CID 11474637
8-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 162785253
2-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpteridine-4,7-dione
CID 102404057
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
CID 158990241
sodium;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydride
CID 173204866
4-amino-1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 158812612
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 67397647
4-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 1805
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-(15N)azanyl-1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-(1,3,5-15N3)1,3,5-triazin-2-one
CID 57369194

Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione?
The IUPAC name of sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione (CID 11290547) is sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione.
What is the SMILES notation for sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione?
The canonical SMILES for sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione is Nc1cnc2c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[nH]c(=O)c2n1.[Na+].
What is the InChIKey of sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione?
The InChIKey is MSWNOOYUVDMXMO-AGFALQQISA-N. The full InChI is InChI=1S/C11H13N5O6.Na/c12-4-1-13-6-5(14-4)9(20)15-16(10(6)21)11-8(19)7(18)3(2-17)22-11;/h1,3,7-8,11,17-19H,2H2,(H2,12,14)(H,15,20);/q;+1/t3-,7-,8-,11-;/m1./s1.
What are the key properties of sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione?
sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione has a molecular weight of 334.24 g/mol, XLogP of -6.32, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-6-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-pyrazino[2,3-d]pyridazine-5,8-dione is sourced from PubChem (CID 11290547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).