(3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol

C12H19NO10 — CID 89126644

IUPAC(3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol
SMILESO=N[C@@H]1CO[C@@]2(CO[C@]3(CO2)O[C@H](CO)C(O)C3O)C(O)C1O
InChIInChI=1S/C12H19NO10/c14-1-6-8(16)10(18)12(23-6)4-21-11(3-22-12)9(17)7(15)5(13-19)2-20-11/h5-10,14-18H,1-4H2/t5-,6-,7?,8?,9?,10?,11-,12-/m1/s1
InChIKeyUTUXCEXNCYIPNX-SUQXEWLGSA-N
MW337.28 g/mol
LogP-3.57
Rot. Bonds2

About (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol

(3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol (PubChem CID 89126644) has the molecular formula C12H19NO10 and a molecular weight of 337.28 g/mol. Its IUPAC name is (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol.

Molecular Properties

Compound Name(3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol
PubChem CID89126644
Molecular FormulaC12H19NO10
Molecular Weight337.28 g/mol
Exact Mass337.10
IUPAC Name(3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol
SMILESO=N[C@@H]1CO[C@@]2(CO[C@]3(CO2)O[C@H](CO)C(O)C3O)C(O)C1O
InChIInChI=1S/C12H19NO10/c14-1-6-8(16)10(18)12(23-6)4-21-11(3-22-12)9(17)7(15)5(13-19)2-20-11/h5-10,14-18H,1-4H2/t5-,6-,7?,8?,9?,10?,11-,12-/m1/s1
InChIKeyUTUXCEXNCYIPNX-SUQXEWLGSA-N
XLogP-3.57
TPSA167.50 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.28
LogP ≤ 5-3.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol?
The IUPAC name of (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol (CID 89126644) is (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol.
What is the SMILES notation for (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol?
The canonical SMILES for (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol is O=N[C@@H]1CO[C@@]2(CO[C@]3(CO2)O[C@H](CO)C(O)C3O)C(O)C1O.
What is the InChIKey of (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol?
The InChIKey is UTUXCEXNCYIPNX-SUQXEWLGSA-N. The full InChI is InChI=1S/C12H19NO10/c14-1-6-8(16)10(18)12(23-6)4-21-11(3-22-12)9(17)7(15)5(13-19)2-20-11/h5-10,14-18H,1-4H2/t5-,6-,7?,8?,9?,10?,11-,12-/m1/s1.
What are the key properties of (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol?
(3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol has a molecular weight of 337.28 g/mol, XLogP of -3.57, 2 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,8R,11R)-3-(hydroxymethyl)-11-nitroso-4,6,9,14-tetraoxadispiro[4.2.58.25]pentadecane-1,2,12,13-tetrol is sourced from PubChem (CID 89126644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).