(3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol

C7H11IO5 — CID 163736650

IUPAC(3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol
SMILESCOC1C(O)=C(I)OC(CO)[C@@H]1O
InChIInChI=1S/C7H11IO5/c1-12-6-4(10)3(2-9)13-7(8)5(6)11/h3-4,6,9-11H,2H2,1H3/t3?,4-,6?/m0/s1
InChIKeyLEEPCVANTMVJTB-ZSGNRXJESA-N
MW302.06 g/mol
LogP-0.08
Rot. Bonds2

About (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol

(3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol (PubChem CID 163736650) has the molecular formula C7H11IO5 and a molecular weight of 302.06 g/mol. Its IUPAC name is (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol.

Molecular Properties

Compound Name(3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol
PubChem CID163736650
Molecular FormulaC7H11IO5
Molecular Weight302.06 g/mol
Exact Mass301.97
IUPAC Name(3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol
SMILESCOC1C(O)=C(I)OC(CO)[C@@H]1O
InChIInChI=1S/C7H11IO5/c1-12-6-4(10)3(2-9)13-7(8)5(6)11/h3-4,6,9-11H,2H2,1H3/t3?,4-,6?/m0/s1
InChIKeyLEEPCVANTMVJTB-ZSGNRXJESA-N
XLogP-0.08
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.06
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 67026121
(2S,3S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-4-one
CID 118274789
(2R,3S)-2-(hydroxymethyl)-5-methoxy-2,3-dihydrofuran-3,4-diol
CID 67684681
(3S,4R,5S)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-one
CID 22887066
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033372
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol?
The IUPAC name of (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol (CID 163736650) is (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol.
What is the SMILES notation for (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol?
The canonical SMILES for (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol is COC1C(O)=C(I)OC(CO)[C@@H]1O.
What is the InChIKey of (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol?
The InChIKey is LEEPCVANTMVJTB-ZSGNRXJESA-N. The full InChI is InChI=1S/C7H11IO5/c1-12-6-4(10)3(2-9)13-7(8)5(6)11/h3-4,6,9-11H,2H2,1H3/t3?,4-,6?/m0/s1.
What are the key properties of (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol?
(3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol has a molecular weight of 302.06 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol is sourced from PubChem (CID 163736650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).