CID 101258390

C6H13NO5P — CID 101258390

IUPAC—
SMILESCC1(C)CCC(OP(=O)(O)O)N1[O]
InChIInChI=1S/C6H13NO5P/c1-6(2)4-3-5(7(6)8)12-13(9,10)11/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyRCKLOZOWWXLTNA-UHFFFAOYSA-N
MW210.15 g/mol
LogP0.64
Rot. Bonds2

About CID 101258390

CID 101258390 (PubChem CID 101258390) has the molecular formula C6H13NO5P and a molecular weight of 210.15 g/mol.

Molecular Properties

Compound NameCID 101258390
PubChem CID101258390
Molecular FormulaC6H13NO5P
Molecular Weight210.15 g/mol
Exact Mass210.05
IUPAC Name—
SMILESCC1(C)CCC(OP(=O)(O)O)N1[O]
InChIInChI=1S/C6H13NO5P/c1-6(2)4-3-5(7(6)8)12-13(9,10)11/h5H,3-4H2,1-2H3,(H2,9,10,11)
InChIKeyRCKLOZOWWXLTNA-UHFFFAOYSA-N
XLogP0.64
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(2,3,4,5,6-pentaphosphonooxycyclohexyl) dihydrogen phosphate;phosphane
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[1-(hydroxyamino)oxy-2,2,6,6-tetramethylpiperidin-4-yl] dihydrogen phosphate
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(2,2,6,6-tetramethyl-1-propylpiperidin-4-yl) dihydrogen phosphate
CID 69301568
Phytic acid dimagnesium tetrapotassium salt, ~95%
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[(1R,2S,3S,4R,5S,6R)-2,3-dimethyl-4,5,6-triphosphonooxycyclohexyl] dihydrogen phosphate
CID 129040517
[1-(1-adamantyl)pyrrolidin-2-yl] dihydrogen phosphate
CID 141236154
(2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl) dihydrogen phosphate
CID 477
(4-propan-2-ylcyclohexyl) dihydrogen phosphate
CID 168729161
(1,2,2-trimethylcyclohexyl) dihydrogen phosphate
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CID 102411594
CID 102411594

Frequently Asked Questions

What is the IUPAC name of CID 101258390?
The IUPAC name of CID 101258390 (CID 101258390) is not available.
What is the SMILES notation for CID 101258390?
The canonical SMILES for CID 101258390 is CC1(C)CCC(OP(=O)(O)O)N1[O].
What is the InChIKey of CID 101258390?
The InChIKey is RCKLOZOWWXLTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5P/c1-6(2)4-3-5(7(6)8)12-13(9,10)11/h5H,3-4H2,1-2H3,(H2,9,10,11).
What are the key properties of CID 101258390?
CID 101258390 has a molecular weight of 210.15 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101258390 is sourced from PubChem (CID 101258390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).