CID 68731933

C6H10NO7P — CID 68731933

IUPAC—
SMILESNP=O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.H2NOP/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-3-2/h2,5,7-10H,1H2;(H2,1,2)/t2-,5+;/m0./s1
InChIKeyHVEBHKRDVMOWDV-RXSVEWSESA-N
MW239.12 g/mol
LogP-1.26
Rot. Bonds2

About CID 68731933

CID 68731933 (PubChem CID 68731933) has the molecular formula C6H10NO7P and a molecular weight of 239.12 g/mol.

Molecular Properties

Compound NameCID 68731933
PubChem CID68731933
Molecular FormulaC6H10NO7P
Molecular Weight239.12 g/mol
Exact Mass239.02
IUPAC Name—
SMILESNP=O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.H2NOP/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-3-2/h2,5,7-10H,1H2;(H2,1,2)/t2-,5+;/m0./s1
InChIKeyHVEBHKRDVMOWDV-RXSVEWSESA-N
XLogP-1.26
TPSA150.31 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 68731933?
The IUPAC name of CID 68731933 (CID 68731933) is not available.
What is the SMILES notation for CID 68731933?
The canonical SMILES for CID 68731933 is NP=O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of CID 68731933?
The InChIKey is HVEBHKRDVMOWDV-RXSVEWSESA-N. The full InChI is InChI=1S/C6H8O6.H2NOP/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-3-2/h2,5,7-10H,1H2;(H2,1,2)/t2-,5+;/m0./s1.
What are the key properties of CID 68731933?
CID 68731933 has a molecular weight of 239.12 g/mol, XLogP of -1.26, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68731933 is sourced from PubChem (CID 68731933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).