CID 163606664

C7H16IO5- — CID 163606664

IUPAC—
SMILESC[C@@]1(O)CO[C@H](CO)[I-](C)(O)[C@@H]1O
InChIInChI=1S/C7H16IO5/c1-7(11)4-13-5(3-9)8(2,12)6(7)10/h5-6,9-12H,3-4H2,1-2H3/q-1/t5-,6-,7-/m1/s1
InChIKeyDKZYUAFAVRAHOC-FSDSQADBSA-N
MW307.10 g/mol
LogP-4.90
Rot. Bonds1

About CID 163606664

CID 163606664 (PubChem CID 163606664) has the molecular formula C7H16IO5- and a molecular weight of 307.10 g/mol.

Molecular Properties

Compound NameCID 163606664
PubChem CID163606664
Molecular FormulaC7H16IO5-
Molecular Weight307.10 g/mol
Exact Mass307.00
IUPAC Name—
SMILESC[C@@]1(O)CO[C@H](CO)[I-](C)(O)[C@@H]1O
InChIInChI=1S/C7H16IO5/c1-7(11)4-13-5(3-9)8(2,12)6(7)10/h5-6,9-12H,3-4H2,1-2H3/q-1/t5-,6-,7-/m1/s1
InChIKeyDKZYUAFAVRAHOC-FSDSQADBSA-N
XLogP-4.90
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 5-4.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3a,5,6a-tetrahydrofuro[3,2-b]furan-3,6-diol
CID 68824826
(3R,4S)-2,4-dimethyloxolane-3,4-diol
CID 143327759
2-(hydroxymethyl)-3,4,5-trimethyloxane-3,4,5-triol
CID 23530499
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-4-methyloxolane-3-carboxylic acid
CID 174791369
(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 150843883
(2S,4R,5S)-4-(hydroxymethyl)-5-methyl-2-phenyl-1,3-dioxan-5-ol
CID 11736231
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
CID 91589098
(2R,4R,5S)-2-(hydroxymethyl)-4-methyloxane-3,4,5-triol
CID 91029782
(2R,5R)-2-(hydroxymethyl)-3,5-dimethyloxan-3-ol
CID 134289608
2-(hydroxymethyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 130126601

Frequently Asked Questions

What is the IUPAC name of CID 163606664?
The IUPAC name of CID 163606664 (CID 163606664) is not available.
What is the SMILES notation for CID 163606664?
The canonical SMILES for CID 163606664 is C[C@@]1(O)CO[C@H](CO)[I-](C)(O)[C@@H]1O.
What is the InChIKey of CID 163606664?
The InChIKey is DKZYUAFAVRAHOC-FSDSQADBSA-N. The full InChI is InChI=1S/C7H16IO5/c1-7(11)4-13-5(3-9)8(2,12)6(7)10/h5-6,9-12H,3-4H2,1-2H3/q-1/t5-,6-,7-/m1/s1.
What are the key properties of CID 163606664?
CID 163606664 has a molecular weight of 307.10 g/mol, XLogP of -4.90, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163606664 is sourced from PubChem (CID 163606664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).