2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide

CH4O16P4Sn — CID 170699534

IUPAC2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide
SMILESO=P1(O)OC2(O1)OP(=O)(O)O2.O=P1(O)O[Sn]2(O1)OP(=O)(O)O2
InChIInChI=1S/CH2O8P2.2H3O4P.Sn/c2-10(3)6-1(7-10)8-11(4,5)9-1;2*1-5(2,3)4;/h(H,2,3)(H,4,5);2*(H3,1,2,3,4);/q;;;+4/p-4
InChIKeyBUBKCECROBLIHA-UHFFFAOYSA-J
MW514.63 g/mol
LogP-0.39
Rot. Bonds

About 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide

2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide (PubChem CID 170699534) has the molecular formula CH4O16P4Sn and a molecular weight of 514.63 g/mol. Its IUPAC name is 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide.

Molecular Properties

Compound Name2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide
PubChem CID170699534
Molecular FormulaCH4O16P4Sn
Molecular Weight514.63 g/mol
Exact Mass515.75
IUPAC Name2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide
SMILESO=P1(O)OC2(O1)OP(=O)(O)O2.O=P1(O)O[Sn]2(O1)OP(=O)(O)O2
InChIInChI=1S/CH2O8P2.2H3O4P.Sn/c2-10(3)6-1(7-10)8-11(4,5)9-1;2*1-5(2,3)4;/h(H,2,3)(H,4,5);2*(H3,1,2,3,4);/q;;;+4/p-4
InChIKeyBUBKCECROBLIHA-UHFFFAOYSA-J
XLogP-0.39
TPSA223.04 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide with MolForge

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Related Compounds

2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide
CID 141425610
methanol;2,4,6-trihydroxy-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 174239066
1,2,3,4,5,6-hexahydroxy-1λ5,2λ5,3λ5,4λ5,5λ5,6λ5-hexaphosphinane 1,2,3,4,5,6-hexaoxide
CID 71369580
disodium;hydride;5-hydroxy-1,2,3,4,5λ5-tetraoxaphospholane 5-oxide
CID 173145201
4,4,5,5,6,7-hexafluoro-2-hydroxy-7-propan-2-yl-1,3,2λ5-dioxaphosphepane 2-oxide
CID 87919069
4,5-difluoro-2-hydroxy-4-propyl-5-(trifluoromethyl)-1,3,2λ5-dioxaphospholane 2-oxide
CID 87919190
2,4-dihydroxy-1,3,5,2λ5,4λ5-trioxadiphosphinane 2,4-dioxide
CID 18459455
4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecan-2-amine
CID 23036017
CID 173087948
CID 173087948
3,3-dihydroxy-1-oxo-2,5,6-trioxa-1λ5-phosphabicyclo[2.1.1]hexane-4-carbaldehyde
CID 141435779
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
5-hydroxy-1,2,4,3,5λ5-trioxathiaphospholane 3,3,5-trioxide
CID 174352954

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide?
The IUPAC name of 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide (CID 170699534) is 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide.
What is the SMILES notation for 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide?
The canonical SMILES for 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide is O=P1(O)OC2(O1)OP(=O)(O)O2.O=P1(O)O[Sn]2(O1)OP(=O)(O)O2.
What is the InChIKey of 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide?
The InChIKey is BUBKCECROBLIHA-UHFFFAOYSA-J. The full InChI is InChI=1S/CH2O8P2.2H3O4P.Sn/c2-10(3)6-1(7-10)8-11(4,5)9-1;2*1-5(2,3)4;/h(H,2,3)(H,4,5);2*(H3,1,2,3,4);/q;;;+4/p-4.
What are the key properties of 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide?
2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide has a molecular weight of 514.63 g/mol, XLogP of -0.39, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphosphaspiro[3.3]heptane 2,6-dioxide;2,6-dihydroxy-1,3,5,7-tetraoxa-2λ5,6λ5-diphospha-4-stannaspiro[3.3]heptane 2,6-dioxide is sourced from PubChem (CID 170699534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).