2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine

C7H15N3O4 — CID 156615959

IUPAC2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine
SMILESC[C@@H]1O[C@@H](O)[C@@H](N=C(N)N)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15N3O4/c1-2-4(11)5(12)3(6(13)14-2)10-7(8)9/h2-6,11-13H,1H3,(H4,8,9,10)/t2-,3-,4+,5-,6+/m0/s1
InChIKeyTTXHMNJCEQRSMJ-MDMQIMBFSA-N
MW205.21 g/mol
LogP-2.91
Rot. Bonds1

About 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine

2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine (PubChem CID 156615959) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine.

Molecular Properties

Compound Name2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine
PubChem CID156615959
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine
SMILESC[C@@H]1O[C@@H](O)[C@@H](N=C(N)N)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H15N3O4/c1-2-4(11)5(12)3(6(13)14-2)10-7(8)9/h2-6,11-13H,1H3,(H4,8,9,10)/t2-,3-,4+,5-,6+/m0/s1
InChIKeyTTXHMNJCEQRSMJ-MDMQIMBFSA-N
XLogP-2.91
TPSA134.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3S,4S,6R)-3,5-dihydroxy-2-methoxy-6-methyloxan-4-yl]guanidine
CID 122634490
2-[(2R,3S,4S,5S,6S)-3,5-dihydroxy-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-4-yl]guanidine
CID 122629742
(3R)-5-methyloxolane-2,3,4-triol
CID 59335588
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
CID 171369816
CID 171369816
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148
(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
CID 59078216
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
6-methyl-4-nitrosooxane-2,3,5-triol
CID 163957817

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine?
The IUPAC name of 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine (CID 156615959) is 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine.
What is the SMILES notation for 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine?
The canonical SMILES for 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine is C[C@@H]1O[C@@H](O)[C@@H](N=C(N)N)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine?
The InChIKey is TTXHMNJCEQRSMJ-MDMQIMBFSA-N. The full InChI is InChI=1S/C7H15N3O4/c1-2-4(11)5(12)3(6(13)14-2)10-7(8)9/h2-6,11-13H,1H3,(H4,8,9,10)/t2-,3-,4+,5-,6+/m0/s1.
What are the key properties of 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine?
2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine has a molecular weight of 205.21 g/mol, XLogP of -2.91, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S,4S,5S,6S)-2,4,5-trihydroxy-6-methyloxan-3-yl]guanidine is sourced from PubChem (CID 156615959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).